UCSF

ZINC38334939

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 19 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) -0.40 2.18 -16.94 1 7 0 79 266.301 3
Lo Low (pH 4.5-6) -0.40 4.32 -57.44 2 7 1 80 267.309 3

Activity (Go SEA)

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