UCSF

ZINC44675827

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 16 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) 1.79 6.55 -120.47 5 2 2 44 220.36 5
Mid Mid (pH 6-8) 1.79 6.05 -32.3 4 2 1 43 219.352 5

Activity (Go SEA)

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