UCSF

ZINC08764094

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 11 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) -0.83 1.68 -23.63 3 7 0 118 156.101 1
Hi High (pH 8-9.5) -0.37 0.53 -40.9 2 7 -1 121 155.093 1

Activity (Go SEA)

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