UCSF

ZINC36890209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 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) 2.07 3.61 -5.54 2 2 0 39 246.257 3
Mid Mid (pH 6-8) 2.07 3.98 -40.88 3 2 1 41 247.265 3

Activity (Go SEA)

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