UCSF

ZINC28769164

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 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) 1.72 3.02 -46.22 4 3 1 57 232.303 4
Hi High (pH 8-9.5) 1.72 2.72 -5.73 3 3 0 55 231.295 4

Activity (Go SEA)

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