UCSF

ZINC06447363

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 21 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) 0.74 7.8 -14.2 0 7 0 79 292.339 5
Mid Mid (pH 6-8) 0.74 8.25 -45.42 1 7 1 80 293.347 5

Activity (Go SEA)

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