UCSF

ZINC60118768

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 31 No

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Annotations

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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) 2.79 13.53 -87.11 2 8 2 93 442.597 19
Hi High (pH 8-9.5) 2.79 10.2 -43.28 1 8 1 89 441.589 19
Hi High (pH 8-9.5) 2.79 6.79 -11.72 0 8 0 85 440.581 19
Hi High (pH 8-9.5) 2.79 10.13 -46.82 1 8 1 89 441.589 19

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

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