UCSF

ZINC49416388

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 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) 0.28 3.02 -7.21 2 6 0 74 262.313 3
Lo Low (pH 4.5-6) 0.28 3.48 -31.88 3 6 1 76 263.321 3

Activity (Go SEA)

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