UCSF

ZINC34926344

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 Yes

Popular Name: MFCD12027536 MFCD12027536

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CAS Number: 1142214-74-1

Download: MOL2 SDF SMILES Flexibase

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) -0.16 1.97 -46.36 1 6 -1 84 269.321 4 ↓
Lo Low (pH 4.5-6) -0.16 2.28 -39.8 3 6 1 82 271.337 4 ↓
Lo Low (pH 4.5-6) -0.16 0.19 -9.47 2 6 0 81 270.329 4 ↓
Lo Low (pH 4.5-6) -0.16 4.2 -62.17 2 6 0 85 270.329 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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