UCSF

ZINC42781763

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.34 5.87 -110.07 3 3 2 30 216.369 9
Hi High (pH 8-9.5) 1.34 2.91 -1.41 1 3 0 24 214.353 9
Hi High (pH 8-9.5) 1.34 4.27 -34.64 2 3 1 29 215.361 9
Mid Mid (pH 6-8) 1.34 4.52 -28.83 2 3 1 26 215.361 9

Activity (Go SEA)

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