UCSF

ZINC25843400

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 34 Yes

Popular Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)phenyl]met [4-[(4-aminoquinazolin-2-yl)meth…

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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) 2.28 8.73 -16.61 2 8 0 93 475.984 4 ↓
Mid Mid (pH 6-8) 2.28 9.09 -38.6 3 8 1 94 476.992 4 ↓
Mid Mid (pH 6-8) 2.28 11.31 -115.04 4 8 2 96 478 4 ↓

Activity (Go SEA)

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