UCSF

ZINC12502879

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 16 Yes

CAS Number: 114-03-4

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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) -1.72 0.44 -73.5 5 5 1 102 221.236 3
Hi High (pH 8-9.5) -1.72 0.11 -53.23 4 5 0 100 220.228 3

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