UCSF

ZINC37332009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 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) 1.68 6.01 -35.22 1 3 1 25 225.356 3
Mid Mid (pH 6-8) 1.68 5.79 -32.23 1 3 1 25 225.356 3
Mid Mid (pH 6-8) 1.68 3.63 -5.09 0 3 0 24 224.348 3

Activity (Go SEA)

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