UCSF

ZINC54991802

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 24 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) 3.62 9.86 -41.17 1 3 1 17 325.476 6
Lo Low (pH 4.5-6) 3.62 9.88 -37.62 1 3 1 17 325.476 6

Activity (Go SEA)

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