UCSF

ZINC07459839

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 25 No

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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) 3.62 7.53 -42.43 3 5 1 63 374.477 9
Hi High (pH 8-9.5) 3.62 5.51 -13.75 2 5 0 61 373.469 9
Hi High (pH 8-9.5) 3.44 6.58 -31.29 2 5 0 69 373.469 9

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