UCSF

ZINC37087312

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.05 7.89 -37.62 2 3 1 34 276.429 3
Lo Low (pH 4.5-6) 2.05 8.06 -96.41 3 3 2 36 277.437 3

Activity (Go SEA)

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