UCSF

ZINC38597026

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 3.50 6.85 -7.08 1 5 0 53 347.484 2
Lo Low (pH 4.5-6) 3.50 8.87 -31.9 2 5 1 54 348.492 2

Activity (Go SEA)

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