UCSF

ZINC37846001

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.63 8.71 -32.54 1 5 1 44 340.245 4
Mid Mid (pH 6-8) 1.63 8.15 -15.4 0 5 0 43 339.237 4

Activity (Go SEA)

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