UCSF

ZINC67472746

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 31 Yes

Popular Name: 1-[(3S)-3-(4-phenylpiperazin-1-yl)-1-piperidyl]-3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propan-1-one 1-[(3S)-3-(4-phenylpiperazin-1-y…

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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) 3.54 9.48 -11.48 1 6 0 55 421.589 5 ↓
Mid Mid (pH 6-8) 3.54 11.88 -45.31 2 6 1 57 422.597 5 ↓

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Rings

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

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