UCSF

ZINC66050200

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 23 No

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Annotations

None

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) 1.05 6.51 -13.45 1 7 0 99 313.313 5
Mid Mid (pH 6-8) 1.05 7.49 -41.95 0 7 -1 102 312.305 5
Lo Low (pH 4.5-6) 1.05 6.97 -52.27 2 7 1 100 314.321 5

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

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