UCSF

ZINC33575006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 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) 4.04 12.12 -14.15 1 5 0 31 440.657 10
Mid Mid (pH 6-8) 4.04 14.38 -47.61 2 5 1 32 441.665 10
Lo Low (pH 4.5-6) 4.04 15.35 -55.58 3 5 0 33 442.673 10

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