UCSF

ZINC31975587

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 3.96 7.84 -53.84 3 4 1 54 316.812 5
Hi High (pH 8-9.5) 3.96 7.46 -9.45 2 4 0 53 315.804 5
Lo Low (pH 4.5-6) 3.96 8.26 -106.57 4 4 2 55 317.82 5

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