UCSF

ZINC06689108

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 26 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) 4.34 12.43 -13.19 0 4 0 38 379.907 8
Mid Mid (pH 6-8) 4.34 12.89 -27.02 1 4 1 39 380.915 8

Activity (Go SEA)

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