UCSF

ZINC20128961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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 7.36 -105.36 3 3 2 34 224.348 6
Hi High (pH 8-9.5) 1.68 5.94 -36.19 2 3 1 30 223.34 6
Mid Mid (pH 6-8) 1.68 4.84 -40.87 2 3 1 33 223.34 6

Activity (Go SEA)

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