UCSF

ZINC41664709

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 5.07 10.31 -15.52 0 6 0 61 463.917 5
Lo Low (pH 4.5-6) 5.07 13.2 -52.84 1 6 1 62 464.925 5

Activity (Go SEA)

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