UCSF

ZINC19527214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 27 Yes

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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) 2.69 7.29 -41.83 1 5 1 39 370.517 9
Hi High (pH 8-9.5) 2.69 5.2 -5.76 0 5 0 38 369.509 9
Mid Mid (pH 6-8) 2.69 7.51 -41.66 1 5 1 39 370.517 9
Lo Low (pH 4.5-6) 2.69 7.95 -101.22 2 5 2 40 371.525 9

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

No pre-computed analogs available. Try a structural similarity search.