UCSF

ZINC33935265

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 29 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) -2.45 8.88 -26.52 2 8 1 88 395.487 3
Mid Mid (pH 6-8) -2.45 11.08 -79.27 3 8 2 89 396.495 3

Activity (Go SEA)

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