UCSF

ZINC01075284

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 15 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) 0.64 2.68 -10.64 1 4 0 63 198.181 0
Hi High (pH 8-9.5) 1.55 0.66 -50.51 0 4 -1 66 197.173 0

Activity (Go SEA)

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