UCSF

ZINC62670012

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 21 Yes

Popular Name: 5,5-dimethyl-3-piperazin-1-yl-2,4-dihydrobenzo[g]indazole 5,5-dimethyl-3-piperazin-1-yl-2,…

Find On: PubMed — Wikipedia — Google

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) 2.59 7.35 -42.37 3 4 1 49 283.399 1 ↓
Hi High (pH 8-9.5) 2.59 6.05 -6.23 2 4 0 44 282.391 1 ↓
Lo Low (pH 4.5-6) 2.59 7.49 -91.51 4 4 2 50 284.407 1 ↓

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Rings

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

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