UCSF

ZINC31961700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 Yes

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) 0.68 3.91 -50.03 1 6 -1 85 262.289 5
Mid Mid (pH 6-8) 0.68 4.12 -63.85 2 6 0 87 263.297 5
Lo Low (pH 4.5-6) 0.68 3 -39.35 3 6 1 84 264.305 5

Activity (Go SEA)

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