UCSF

ZINC50027483

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 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) 2.13 7.79 -47.31 3 5 1 63 338.431 5
Hi High (pH 8-9.5) 2.31 3.94 -51.87 1 5 -1 68 336.415 5

Activity (Go SEA)

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