UCSF

ZINC42459938

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.67 5.85 -37.73 2 5 1 47 253.37 7
Lo Low (pH 4.5-6) 0.67 5.99 -92.36 3 5 2 48 254.378 7

Activity (Go SEA)

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