UCSF

ZINC42349756

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 40 No

Popular Name: BRD-A33132503-001-01-9 BRD-A33132503-001-01-9

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Other Names:

BRD-A33132503-001-02-7

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.52 4.07 -50.12 3 11 -1 170 559.636 5 ↓
Lo Low (pH 4.5-6) -0.88 5.27 -20.73 3 11 0 164 560.644 5 ↓
Lo Low (pH 4.5-6) 1.52 3.21 -19.42 4 11 0 167 560.644 5 ↓
Lo Low (pH 4.5-6) -0.88 5.22 -18.46 3 11 0 164 560.644 5 ↓
Lo Low (pH 4.5-6) 1.52 2.81 -22.29 4 11 0 167 560.644 5 ↓

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