UCSF

ZINC39050197

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 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) 1.10 2.56 -42.04 3 2 1 41 151.233 2
Lo Low (pH 4.5-6) 1.10 2.77 -93.22 4 2 2 42 152.241 2

Activity (Go SEA)

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