UCSF

ZINC13598586

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 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) 2.94 8.45 -8.27 1 4 0 54 317.801 3
Ref Reference (pH 7) 2.94 8.82 -9.31 1 4 0 54 317.801 3
Mid Mid (pH 6-8) 2.94 7.64 -44.38 0 4 -1 56 316.793 4
Lo Low (pH 4.5-6) 3.11 8.52 -16.5 1 4 0 58 317.801 3

Activity (Go SEA)

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