UCSF

ZINC12129743

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 32 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) 3.15 10.14 -19.7 1 7 0 88 434.471 5
Lo Low (pH 4.5-6) 3.15 10.58 -48.28 2 7 1 89 435.479 5
Lo Low (pH 4.5-6) 3.15 10.15 -20.84 1 7 0 88 434.471 5

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