UCSF

ZINC85537096

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2013 42 No

Popular Name: JAN JAN

Find On: PubMed — Wikipedia — Google

CAS Number: 51795-47-2

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) -6.04 -26.34 -294.07 22 19 4 354 619.666 9 ↓
Hi High (pH 8-9.5) -6.04 -27.47 -60.29 19 19 1 349 616.642 9 ↓
Hi High (pH 8-9.5) -6.04 -27.18 -105.02 20 19 2 351 617.65 9 ↓
Mid Mid (pH 6-8) -6.04 -26.35 -268.94 22 19 4 354 619.666 9 ↓
Mid Mid (pH 6-8) -6.04 -25.98 -390.31 23 19 5 355 620.674 9 ↓
Mid Mid (pH 6-8) -6.04 -26.72 -188.86 21 19 3 352 618.658 9 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.