UCSF

ZINC03541530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 25 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) 2.88 6.4 -58.89 3 6 1 72 346.382 7
Hi High (pH 8-9.5) 2.70 3.26 -47.29 1 6 -1 77 344.366 7
Hi High (pH 8-9.5) 2.70 5.57 -41.09 2 6 0 78 345.374 7

Activity (Go SEA)

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