UCSF

ZINC19440070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 15 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) 1.24 5.24 -103.85 5 3 2 56 225.361 4
Hi High (pH 8-9.5) -1.93 2.94 -10.24 4 3 0 55 223.345 4
Hi High (pH 8-9.5) 1.24 2.99 -37.62 4 3 1 55 224.353 4
Mid Mid (pH 6-8) -1.93 5.19 -35.68 5 3 1 56 224.353 4

Activity (Go SEA)

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