UCSF

ZINC37033948

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.10 -1.61 -56.94 5 6 1 103 258.323 4
Hi High (pH 8-9.5) -0.10 -1.94 -45.85 3 6 -1 103 256.307 4
Hi High (pH 8-9.5) -0.10 -2 -14.51 4 6 0 101 257.315 4
Hi High (pH 8-9.5) -0.10 -1.55 -73.47 4 6 0 105 257.315 4

Activity (Go SEA)

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