UCSF

ZINC08772188

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 29 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) 5.93 11.63 -30.54 3 4 1 59 385.487 5
Mid Mid (pH 6-8) 5.93 11.18 -10.65 2 4 0 58 384.479 5

Activity (Go SEA)

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