UCSF

ZINC38001859

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 3.57 5.52 -40.57 2 3 1 29 348.33 5
Hi High (pH 8-9.5) 3.57 4.09 -3.38 1 3 0 24 347.322 5
Lo Low (pH 4.5-6) 3.57 7.5 -116.51 3 3 2 30 349.338 5

Activity (Go SEA)

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