UCSF

ZINC65526768

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 No

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Annotations

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Vendors

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) 3.40 7.48 -219.06 4 6 3 66 342.467 5
Mid Mid (pH 6-8) 3.40 5.3 -103.04 3 6 2 65 341.459 5
Lo Low (pH 4.5-6) 3.40 7.17 -304.53 5 6 4 68 343.475 5

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

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