UCSF

ZINC33809250

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 4.75 9.63 -37.46 1 2 1 14 277.215 7
Hi High (pH 8-9.5) 4.75 7.16 -3.91 0 2 0 12 276.207 7

Activity (Go SEA)

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