UCSF

ZINC12504393

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 15 Yes

CAS Number: 20696-57-5

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.28 -0.68 -106.11 6 4 2 85 205.261 3
Mid Mid (pH 6-8) 0.28 -1.01 -38.42 5 4 1 83 204.253 3

Activity (Go SEA)

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