UCSF

ZINC33847248

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 29 No

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) 1.88 4.51 -12.9 2 8 0 106 411.495 10
Mid Mid (pH 6-8) 1.88 7.56 -44.44 3 8 1 107 412.503 10

Activity (Go SEA)

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