UCSF

ZINC41363637

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 13 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) -0.86 2.6 -37.44 1 4 1 28 186.279 2
Mid Mid (pH 6-8) -0.86 2.4 -35.87 1 4 1 28 186.279 2
Mid Mid (pH 6-8) -0.86 0.21 -8.36 0 4 0 27 185.271 2

Activity (Go SEA)

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