UCSF

ZINC42529983

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 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) 0.55 4.4 -42.57 2 3 1 44 198.334 8
Lo Low (pH 4.5-6) 0.55 6.3 -112.82 3 3 2 45 199.342 8

Activity (Go SEA)

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