UCSF

ZINC06668662

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 18 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) 0.76 8.74 -16.8 2 5 0 73 243.314 4
Mid Mid (pH 6-8) 0.76 9.25 -47.06 3 5 1 74 244.322 4

Activity (Go SEA)

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