UCSF

ZINC53660386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 20 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) 4.18 10.73 -96.12 3 2 2 21 296.524 6
Mid Mid (pH 6-8) 4.18 8.49 -36.27 2 2 1 20 295.516 6

Activity (Go SEA)

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