UCSF

ZINC37168376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 17 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) 3.55 5.39 -37.24 2 2 1 20 237.411 2
Mid Mid (pH 6-8) 3.55 6.79 -30.9 2 2 1 16 237.411 2
Mid Mid (pH 6-8) 3.55 7.89 -106.44 3 2 2 21 238.419 2

Activity (Go SEA)

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