UCSF

ZINC06351047

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 27 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) 6.11 7.8 -9.29 2 5 0 75 402.903 5
Hi High (pH 8-9.5) 6.56 5.77 -46.78 1 5 -1 78 401.895 5
Hi High (pH 8-9.5) 6.11 8.71 -42.43 1 5 -1 78 401.895 5
Hi High (pH 8-9.5) 6.56 6.68 -98.39 0 5 -2 81 400.887 5
Hi High (pH 8-9.5) 6.56 6.47 -46.21 1 5 -1 78 401.895 5
Hi High (pH 8-9.5) 6.11 9.22 -42.27 1 5 -1 78 401.895 5
Hi High (pH 8-9.5) 6.56 7.38 -98.38 0 5 -2 81 400.887 5

Activity (Go SEA)

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