UCSF

ZINC13132154

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 26 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) 2.85 8.58 -14.71 3 7 0 87 351.41 4
Lo Low (pH 4.5-6) 2.85 9.09 -34.75 4 7 1 88 352.418 4

Activity (Go SEA)

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