UCSF

ZINC45147295

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.84 4.53 -37.34 2 3 1 29 223.34 8
Hi High (pH 8-9.5) 1.84 3.16 -3.87 1 3 0 24 222.332 8
Lo Low (pH 4.5-6) 1.84 6.9 -110.51 3 3 2 30 224.348 8

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