UCSF

ZINC25498653

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 6.17 10.78 -51.99 0 7 -1 104 424.502 8
Mid Mid (pH 6-8) 5.72 11.89 -15.3 1 7 0 101 425.51 8

Activity (Go SEA)

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