UCSF

ZINC06695540

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 25 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) 2.62 7.61 -11.97 1 5 0 62 396.299 5
Lo Low (pH 4.5-6) 2.62 8.07 -44.3 2 5 1 64 397.307 5

Activity (Go SEA)

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