UCSF

ZINC13275931

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 33 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) 4.65 14.03 -135.36 0 6 -2 101 437.451 6
Mid Mid (pH 6-8) 4.07 13.14 -80.78 0 6 -1 95 438.459 6
Mid Mid (pH 6-8) 4.65 11.98 -87.97 1 6 -1 98 438.459 5

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

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