UCSF

ZINC22066481

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 30 No

Popular Name: Sancycline Sancycline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 808-26-4 , 906364-48-5

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.03 -2.43 -50.9 5 9 -1 165 413.406 2 ↓
Ref Reference (pH 7) -0.28 2.14 -53.93 6 9 0 165 414.414 2 ↓
Hi High (pH 8-9.5) -0.28 2.06 -238.52 3 9 -3 170 411.39 2 ↓
Hi High (pH 8-9.5) -0.28 1.07 -139.44 4 9 -2 167 412.398 2 ↓
Hi High (pH 8-9.5) -0.87 0.04 -129.51 3 9 -2 164 412.398 2 ↓
Mid Mid (pH 6-8) -0.87 2.76 -119.86 4 9 -1 165 413.406 2 ↓
Mid Mid (pH 6-8) -0.87 2.84 -91.28 4 9 -1 165 413.406 2 ↓
Mid Mid (pH 6-8) -0.28 3.27 -119.88 5 9 -1 168 413.406 2 ↓
Mid Mid (pH 6-8) -0.28 0.1 -54.88 5 9 -1 164 413.406 2 ↓
Mid Mid (pH 6-8) -1.02 1.63 -75.52 6 9 0 165 414.414 1 ↓
Mid Mid (pH 6-8) 0.03 -0.38 -53.66 6 9 0 166 414.414 2 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )