UCSF

ZINC38002240

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 14 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) 2.50 3.34 -45.11 3 3 1 46 278.195 4
Mid Mid (pH 6-8) 2.50 2.15 -10.25 2 3 0 41 277.187 4

Activity (Go SEA)

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