UCSF

ZINC48871947

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 17 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) -0.67 2.91 -54.09 3 6 1 92 241.315 7
Mid Mid (pH 6-8) -0.67 0.68 -19.88 2 6 0 90 240.307 7

Activity (Go SEA)

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