UCSF

ZINC00000757

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine N,1-dimethyl-4,5,6,7-tetrahydro-…

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CAS Numbers: 1393879-15-6 , 17289-49-5 , 22911-97-3

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) 1.54 4.21 -24.05 2 3 1 31 166.248 1 ↓
Mid Mid (pH 6-8) 1.54 4.09 -7.02 1 3 0 30 165.24 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 91 - 93 KeyOrganics

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