UCSF

ZINC19855510

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) 1.52 4.77 -10.59 0 4 0 30 245.326 4
Mid Mid (pH 6-8) 1.52 5.16 -27.7 1 4 1 32 246.334 4
Mid Mid (pH 6-8) 1.52 7.1 -50.19 1 4 1 31 246.334 4
Lo Low (pH 4.5-6) 1.52 7.49 -106.52 2 4 2 33 247.342 4

Activity (Go SEA)

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