UCSF

ZINC38419299

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 25 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) 1.61 6.75 -45.27 2 6 1 57 345.467 5
Hi High (pH 8-9.5) 1.61 4.38 -16.26 1 6 0 56 344.459 5
Lo Low (pH 4.5-6) 1.61 8.91 -105.65 3 6 2 58 346.475 5

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