UCSF

ZINC06415905

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 21 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) 2.43 3.54 -44.33 0 6 -1 80 372.22 5
Mid Mid (pH 6-8) 2.43 3.97 -13.37 1 6 0 78 373.228 5

Activity (Go SEA)

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