UCSF

ZINC42302487

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 15 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) 0.05 2.5 -43.89 2 4 1 40 214.333 4
Lo Low (pH 4.5-6) 0.05 4.75 -123.1 3 4 2 41 215.341 4

Activity (Go SEA)

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