UCSF

ZINC37918833

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 1.68 6.41 -73.25 1 4 0 48 236.315 6
Mid Mid (pH 6-8) 1.68 6.56 -75.57 1 4 0 48 236.315 6
Lo Low (pH 4.5-6) 1.68 8.91 -141.53 2 4 1 49 237.323 6

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Rings

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