UCSF

ZINC31972215

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) -0.04 3.6 -57.78 1 8 -1 123 302.266 5
Lo Low (pH 4.5-6) -0.04 2.48 -22.25 2 8 0 120 303.274 5

Activity (Go SEA)

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