UCSF

ZINC72319688

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2012 26 Yes

CAS Number: 84379-13-5

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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) 3.19 10.06 -13.58 0 6 0 53 420.307 3
Mid Mid (pH 6-8) -1.63 10.04 -14.38 0 6 0 53 421.315 3

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No pre-computed analogs available. Try a structural similarity search.