UCSF

ZINC41998593

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 18 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) 0.44 2.47 -16.3 2 6 0 79 251.286 3
Mid Mid (pH 6-8) 0.63 -0.14 -50.41 1 6 -1 85 250.278 3

Activity (Go SEA)

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