UCSF

ZINC43123053

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 36 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) 2.03 6.96 -71.27 4 8 1 108 517.647 10
Mid Mid (pH 6-8) 2.03 5.61 -23.28 3 8 0 104 516.639 10

Activity (Go SEA)

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