UCSF

ZINC19418876

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 19 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) 2.19 1.43 -19.24 3 5 0 85 298.751 3
Hi High (pH 8-9.5) 2.19 2.29 -90.51 1 5 -2 86 296.735 3
Mid Mid (pH 6-8) 2.19 2.23 -51.63 2 5 -1 88 297.743 3

Activity (Go SEA)

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