UCSF

ZINC12850748

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 31 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) 4.75 7.81 -8.02 1 6 0 63 456.896 4
Lo Low (pH 4.5-6) 4.75 8.75 -32.9 2 6 1 64 457.904 4

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