UCSF

ZINC46671557

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2010 28 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) 0.63 6.57 -17.19 2 9 0 109 382.424 3
Hi High (pH 8-9.5) 1.71 4.95 -55.11 1 9 -1 116 381.416 3

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

No pre-computed analogs available. Try a structural similarity search.