UCSF

ZINC09708616

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 25 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) 3.54 -0.25 -10.65 0 7 0 74 379.203 2
Mid Mid (pH 6-8) 3.54 0.66 -32.67 1 7 1 75 380.211 2

Activity (Go SEA)

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