UCSF

ZINC42608002

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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 1.69 -40.43 2 4 1 38 231.36 7
Lo Low (pH 4.5-6) 0.47 4.83 -97.67 3 4 2 40 232.368 7

Activity (Go SEA)

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