UCSF

ZINC62153905

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 31 Yes

Popular Name: [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(9H-xanthen-9-yl)methanone [4-[2-(3,5-dimethylpyrazol-1-yl)…

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Vendors

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) 3.16 9.8 -17.6 0 6 0 51 416.525 4 ↓
Mid Mid (pH 6-8) 3.16 12.01 -64.26 1 6 1 52 417.533 4 ↓

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

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