UCSF

ZINC37034839

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.47 3.64 -50.39 5 5 1 87 271.344 5
Lo Low (pH 4.5-6) 0.47 4.1 -110.22 6 5 2 88 272.352 5

Activity (Go SEA)

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