UCSF

ZINC37097248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.57 8.67 -35.23 3 2 1 30 287.349 7
Lo Low (pH 4.5-6) 1.57 7.96 -125.71 4 2 2 32 288.357 7

Activity (Go SEA)

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