UCSF

ZINC31922029

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 1.18 6.41 -10.86 2 4 0 56 296.399 3
Lo Low (pH 4.5-6) 1.18 6.82 -37.07 3 4 1 57 297.407 3

Activity (Go SEA)

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