UCSF

ZINC45658743

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.12 6.47 -114.41 4 3 2 35 297.874 5
Hi High (pH 8-9.5) 2.12 5.58 -36.48 3 3 1 34 296.866 5
Hi High (pH 8-9.5) 2.12 4.53 -49.34 3 3 1 34 296.866 5
Lo Low (pH 4.5-6) 2.12 8.19 -240.95 5 3 3 37 298.882 5

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