UCSF

ZINC43395763

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) 1.26 4.78 -104.45 4 3 2 45 235.253 4
Hi High (pH 8-9.5) 1.26 4.24 -7.22 2 3 0 42 233.237 4
Mid Mid (pH 6-8) 1.26 4.37 -53.94 3 3 1 44 234.245 4
Mid Mid (pH 6-8) 1.26 4.4 -26.72 3 3 1 43 234.245 4

Activity (Go SEA)

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