UCSF

ZINC34887666

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 27 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) 4.00 12.16 -13.89 1 4 0 37 442.382 8
Lo Low (pH 4.5-6) 4.00 12.63 -50.39 2 4 1 39 443.39 8

Activity (Go SEA)

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