UCSF

ZINC60184338

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 36 No

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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) -5.41 -18.91 -184.12 16 16 3 280 530.548 6
Hi High (pH 8-9.5) -5.41 -20.33 -20.91 13 16 0 272 527.524 6
Hi High (pH 8-9.5) -5.41 -19.9 -49.22 14 16 1 277 528.532 6
Hi High (pH 8-9.5) -5.41 -20.73 -68.89 14 16 1 274 528.532 6
Mid Mid (pH 6-8) -5.41 -19.57 -124.14 15 16 2 278 529.54 6

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

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