UCSF

ZINC59513595

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 38 No

Popular Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-[4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]acetam N-[3-[4-(3-chlorophenyl)piperazi…

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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) 4.14 14.92 -64.02 3 7 1 75 549.12 8 ↓
Hi High (pH 8-9.5) 4.87 12.4 -59.17 1 7 -1 70 547.104 8 ↓
Mid Mid (pH 6-8) 4.87 14.64 -88.37 2 7 0 72 548.112 8 ↓
Mid Mid (pH 6-8) 4.14 12.7 -24.29 2 7 0 73 548.112 8 ↓

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Rings

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

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