UCSF

ZINC42167811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 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) 3.45 5.99 -42.11 3 4 1 59 270.356 3
Lo Low (pH 4.5-6) 3.45 6.35 -82.4 4 4 2 60 271.364 3

Activity (Go SEA)

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