UCSF

ZINC07219000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2006 30 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) 2.63 11.91 -49.96 2 6 1 57 411.57 8
Hi High (pH 8-9.5) 2.63 9.75 -19.59 1 6 0 56 410.562 8
Lo Low (pH 4.5-6) 2.63 12.71 -77.43 3 6 0 58 412.578 8

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