UCSF

ZINC06661988

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 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) 1.57 1.18 -15.22 2 5 0 75 230.223 1
Mid Mid (pH 6-8) 1.57 2.11 -68.27 1 5 -1 78 229.215 1

Activity (Go SEA)

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