UCSF

ZINC31975673

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 3.30 5.71 -53.12 3 3 1 45 238.742 2
Hi High (pH 8-9.5) 3.30 5.38 -7.09 2 3 0 43 237.734 2
Lo Low (pH 4.5-6) 3.30 6.11 -100.3 4 3 2 46 239.75 2

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