UCSF

ZINC37823649

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.39 6.15 -40.15 2 4 1 40 282.452 6
Hi High (pH 8-9.5) 2.39 7.16 -43.9 2 4 1 37 282.452 6
Hi High (pH 8-9.5) 2.39 4.94 -6.66 1 4 0 36 281.444 6
Mid Mid (pH 6-8) 2.39 8.37 -100.67 3 4 2 41 283.46 6

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