UCSF

ZINC33018972

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 13 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) 1.03 3.38 -7.49 0 3 0 24 182.267 1
Mid Mid (pH 6-8) 1.03 5.77 -44.58 1 3 1 25 183.275 1

Activity (Go SEA)

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