UCSF

ZINC43411350

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.67 1.22 -37.9 3 4 1 49 233.376 8
Mid Mid (pH 6-8) 0.67 1.95 -30.41 3 4 1 46 233.376 8
Lo Low (pH 4.5-6) 0.67 3.18 -110.19 4 4 2 51 234.384 8

Activity (Go SEA)

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