UCSF

ZINC08511178

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2006 20 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) 1.57 4.39 -21.91 2 6 0 80 292.364 6
Hi High (pH 8-9.5) 1.57 4.24 -48.18 1 6 -1 78 291.356 6

Activity (Go SEA)

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