UCSF

ZINC43703166

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) -0.13 4.48 -61.41 2 7 -1 109 290.299 3
Mid Mid (pH 6-8) -0.13 4.89 -61.65 3 7 0 110 291.307 3

Activity (Go SEA)

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