UCSF

ZINC22005428

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 33 No

Popular Name: Dasatinib Dasatinib

Find On: PubMed — Wikipedia — Google

CAS Number: 863127-77-9

Other Names:

Dasatinib monohydrate

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) 2.69 6.5 -66.44 4 9 0 108 485.639 7 ↓
Mid Mid (pH 6-8) 2.69 6.12 -77.4 4 9 0 108 485.639 7 ↓
Mid Mid (pH 6-8) 2.69 5.83 -67.26 3 9 -1 107 484.631 7 ↓
Lo Low (pH 4.5-6) 2.69 7.81 -55.19 4 9 1 108 486.647 7 ↓

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

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