UCSF

ZINC37831812

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.24 9.1 -40.73 1 4 1 39 270.784 7
Mid Mid (pH 6-8) 1.24 8.23 -8.89 0 4 0 38 269.776 7

Activity (Go SEA)

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