UCSF

ZINC34929122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 21 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) 0.23 1.68 -44.74 4 5 1 69 292.403 7
Mid Mid (pH 6-8) 0.23 3.62 -45.7 4 5 1 69 292.403 7
Mid Mid (pH 6-8) 0.23 3.95 -98.15 5 5 2 70 293.411 7
Mid Mid (pH 6-8) 0.23 1.35 -9.17 3 5 0 68 291.395 7

Activity (Go SEA)

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