UCSF

ZINC37797122

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 13 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) 0.56 1.02 -38.92 3 3 1 50 201.315 4
Mid Mid (pH 6-8) 0.56 -0.21 -5.37 2 3 0 45 200.307 4

Activity (Go SEA)

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