UCSF

ZINC04123453

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 22 Yes

Popular Name: chloro-(3-pyridylmethyl)BLAH chloro-(3-pyridylmethyl)BLAH

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Annotations

None

Vendors

    None

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) 2.63 -0.65 -51.15 1 4 1 39 312.78 2 ↓
Lo Low (pH 4.5-6) 2.63 -0.53 -114.46 2 4 2 40 313.788 2 ↓
Lo Low (pH 4.5-6) 2.63 -0.45 -100.3 2 4 2 40 313.788 2 ↓
Lo Low (pH 4.5-6) 2.63 -0.34 -179.35 3 4 3 41 314.796 2 ↓

Activity (Go SEA)

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