UCSF

ZINC37822227

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.41 0.02 -40.59 5 6 1 104 265.337 6
Hi High (pH 8-9.5) -0.41 -0.32 -14.45 4 6 0 102 264.329 6
Lo Low (pH 4.5-6) -0.41 0.49 -96.27 6 6 2 105 266.345 6

Activity (Go SEA)

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