UCSF

ZINC37839988

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.94 -3.08 -16.34 2 8 0 98 287.345 4
Mid Mid (pH 6-8) -0.94 -0.93 -51.54 3 8 1 100 288.353 4

Activity (Go SEA)

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