UCSF

ZINC43609474

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 32 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) 3.01 14.06 -45.52 1 6 1 55 448.616 3
Mid Mid (pH 6-8) 3.01 12.26 -43.96 1 6 1 56 448.616 3
Mid Mid (pH 6-8) 3.01 11.95 -17.08 0 6 0 54 447.608 3

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

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