UCSF

ZINC00528223

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 No

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Annotations

Vendors

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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) 1.43 -3.51 -19.04 3 6 0 91 279.321 4
Hi High (pH 8-9.5) 2.54 -2.94 -58.46 2 6 -1 100 278.313 3
Hi High (pH 8-9.5) 1.43 -2.94 -58.46 2 6 -1 94 278.313 4

Activity (Go SEA)

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