UCSF

ZINC44721424

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) -0.38 0.83 -36.31 4 4 1 60 198.29 5
Hi High (pH 8-9.5) -0.38 -0.28 -44.84 4 4 1 63 198.29 5
Hi High (pH 8-9.5) -0.38 -1.47 -7.59 3 4 0 58 197.282 5
Lo Low (pH 4.5-6) -0.38 2.01 -111.79 5 4 2 64 199.298 5

Activity (Go SEA)

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