UCSF

ZINC34680845

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 4.23 12.07 -16.53 1 6 0 66 469.372 4
Lo Low (pH 4.5-6) 4.23 12.37 -48.12 2 6 1 67 470.38 4

Activity (Go SEA)

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