UCSF

ZINC31976290

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 4.32 8.64 -9.71 2 4 0 65 304.415 6
Hi High (pH 8-9.5) 4.32 8.71 -42.05 1 4 -1 63 303.407 6
Lo Low (pH 4.5-6) 4.32 9.06 -29.7 3 4 1 66 305.423 6

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