UCSF

ZINC13140562

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 21 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) -0.37 2.46 -58.65 0 7 -1 107 331.395 5
Ref Reference (pH 7) -0.37 2.77 -57.98 0 7 -1 107 331.395 5
Mid Mid (pH 6-8) -0.37 3.9 -59.23 1 7 0 109 332.403 5

Activity (Go SEA)

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