UCSF

ZINC37860255

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 1.62 2.63 -11.39 2 3 0 41 246.232 5
Mid Mid (pH 6-8) 1.62 3.99 -57.61 3 3 1 46 247.24 5

Activity (Go SEA)

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