UCSF

ZINC08518206

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2006 26 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) 4.79 8.24 -46.73 0 5 -1 81 383.836 5
Mid Mid (pH 6-8) 4.79 8.18 -11.13 1 5 0 79 384.844 5

Activity (Go SEA)

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