UCSF

ZINC31909257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 2.48 10.06 -46.02 1 8 0 108 334.376 7
Mid Mid (pH 6-8) 2.48 7.92 -52.65 0 8 -1 106 333.368 7
Lo Low (pH 4.5-6) 2.48 10.47 -68.49 2 8 1 109 335.384 7

Activity (Go SEA)

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