UCSF

ZINC53496440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 17 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) 0.09 3.4 -21.16 1 6 0 72 238.243 3
Hi High (pH 8-9.5) 0.27 0.59 -58.25 0 6 -1 78 237.235 3
Hi High (pH 8-9.5) 0.27 1.73 -62.15 0 6 -1 78 237.235 3

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

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