UCSF

ZINC27734303

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 30 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) 4.85 11.67 -51.78 2 5 1 46 428.984 7
Mid Mid (pH 6-8) 4.85 9.36 -9.32 1 5 0 45 427.976 7

Activity (Go SEA)

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