UCSF

ZINC16662698

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 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) 3.28 8.02 -32.96 1 2 1 14 226.384 2
Mid Mid (pH 6-8) 3.28 5.8 -1.83 0 2 0 12 225.376 2

Activity (Go SEA)

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