UCSF

ZINC40496247

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 17 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) 1.76 1.46 -6.94 0 5 0 51 239.319 3
Mid Mid (pH 6-8) 1.76 3.75 -41.06 1 5 1 53 240.327 3

Activity (Go SEA)

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