UCSF

ZINC20237890

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 35 Yes

Popular Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-fluorophenyl)-1-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-[3-(4-benzylpiperazin-1-yl)pro…

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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) 4.26 11.43 -55.04 2 6 1 55 492.644 8 ↓
Mid Mid (pH 6-8) 4.26 11.5 -51.14 2 6 1 55 492.644 8 ↓
Mid Mid (pH 6-8) 4.26 9.12 -15.43 1 6 0 53 491.636 8 ↓

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

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