UCSF

ZINC32545325

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 20 Yes

Popular Name: 2-isopropyl-4-(4-methylpiperazin-1-yl)quinazoline 2-isopropyl-4-(4-methylpiperazin…

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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) 2.80 9.9 -90.22 2 4 2 35 272.396 2 ↓
Hi High (pH 8-9.5) 2.80 5.89 -6.52 0 4 0 32 270.38 2 ↓
Mid Mid (pH 6-8) 2.80 6.27 -25.51 1 4 1 34 271.388 2 ↓
Mid Mid (pH 6-8) 2.80 8.73 -77.99 2 4 2 35 272.396 2 ↓

Activity (Go SEA)

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