UCSF

ZINC43391299

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 3.68 6.58 -7.91 1 2 0 25 296.798 3
Mid Mid (pH 6-8) 3.68 7.79 -43.15 2 2 1 29 297.806 3

Activity (Go SEA)

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