UCSF

ZINC33756709

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 4.16 12.03 -13.63 1 5 0 31 440.657 11
Mid Mid (pH 6-8) 4.16 14.32 -57.43 2 5 1 32 441.665 11
Lo Low (pH 4.5-6) 4.16 15.07 -81.14 3 5 0 33 442.673 11

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