UCSF

ZINC45650983

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 3.11 9.68 -35.83 2 3 1 21 286.443 6
Hi High (pH 8-9.5) 3.11 7.21 -5.4 1 3 0 20 285.435 6
Lo Low (pH 4.5-6) 3.11 8.33 -47.52 2 3 1 25 286.443 6
Lo Low (pH 4.5-6) 3.11 10.8 -119.03 3 3 2 26 287.451 6

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