UCSF

ZINC36997649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 5.20 10.36 -3.04 1 1 0 12 287.834 6
Mid Mid (pH 6-8) 5.20 11.57 -38.52 2 1 1 17 288.842 6

Activity (Go SEA)

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