UCSF

ZINC12324221

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 28 No

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Annotations

None

Vendors

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) 3.35 0.57 -46.46 1 5 1 57 391.472 3
Lo Low (pH 4.5-6) 3.35 0.61 -124.95 2 5 2 58 392.48 3

Activity (Go SEA)

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