UCSF

ZINC13815095

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 18 No

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) 1.88 5.41 -14.22 1 4 0 45 245.326 1
Mid Mid (pH 6-8) 2.45 5.92 -32.38 2 4 1 50 246.334 2

Activity (Go SEA)

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