UCSF

ZINC02627065

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 25 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) 4.66 10.95 -16.63 1 5 0 62 417.332 6
Mid Mid (pH 6-8) 4.66 10.79 -43.53 0 5 -1 60 416.324 6

Activity (Go SEA)

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