UCSF

ZINC42458163

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 Yes

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Annotations

Vendors

    None

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) 3.02 7.21 -49.14 2 4 -1 69 235.307 5
Lo Low (pH 4.5-6) 3.02 7.11 -61.41 3 4 0 71 236.315 5

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Rings

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