UCSF

ZINC40770923

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 1.09 4.14 -46.39 4 5 1 72 277.392 4
Lo Low (pH 4.5-6) 1.09 4.55 -86.18 5 5 2 74 278.4 4

Activity (Go SEA)

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