UCSF

ZINC43437115

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 3.17 7.1 -38.05 2 2 1 20 227.416 3
Hi High (pH 8-9.5) 3.17 5.74 -0.33 1 2 0 15 226.408 3
Mid Mid (pH 6-8) 3.17 5.6 -25.87 2 2 1 16 227.416 3
Lo Low (pH 4.5-6) 3.17 6.94 -104.1 3 2 2 21 228.424 3

Activity (Go SEA)

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