UCSF

ZINC41156433

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 1.52 1.53 -44.29 3 3 1 34 268.347 5
Mid Mid (pH 6-8) 1.52 3.67 -114.98 4 3 2 35 269.355 5
Mid Mid (pH 6-8) 1.52 3.6 -94.51 4 3 2 35 269.355 5

Activity (Go SEA)

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