UCSF

ZINC33809186

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) 3.80 9.02 -31.65 1 2 1 14 236.379 6
Hi High (pH 8-9.5) 3.80 6.88 -2.67 0 2 0 12 235.371 6

Activity (Go SEA)

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