UCSF

ZINC12545099

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 21 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) 2.37 8.46 -12.6 0 3 0 33 304.752 2
Lo Low (pH 4.5-6) 2.37 8.74 -37.15 1 3 1 34 305.76 2

Activity (Go SEA)

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