UCSF

ZINC06622110

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 30 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) 1.85 -0.26 -16.13 2 8 0 113 409.394 6
Mid Mid (pH 6-8) 1.27 -0.45 -22.54 1 8 0 110 409.394 6

Activity (Go SEA)

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