UCSF

ZINC42864281

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.78 6.23 -32.94 2 2 1 16 211.373 3
Hi High (pH 8-9.5) 2.78 4.04 -0.83 1 2 0 15 210.365 3
Lo Low (pH 4.5-6) 2.78 5.34 -35.97 2 2 1 20 211.373 3
Lo Low (pH 4.5-6) 2.78 7.52 -110.04 3 2 2 21 212.381 3

Activity (Go SEA)

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