UCSF

ZINC37822794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.90 4.5 -42.76 3 4 1 51 272.372 4
Hi High (pH 8-9.5) -0.90 4.15 -9.29 2 4 0 50 271.364 4
Lo Low (pH 4.5-6) -0.90 6.75 -100.81 4 4 2 52 273.38 4

Activity (Go SEA)

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