UCSF

ZINC37800174

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 3.29 7.05 -45.57 3 3 1 48 299.847 5
Mid Mid (pH 6-8) 3.29 6.89 -5.6 2 3 0 46 298.839 5

Activity (Go SEA)

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