UCSF

ZINC38540603

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 13 No

Popular Name: 3-(Trifluoromethyl)-4,5,6,7-tetrahydro-3H-pyrazolo[3,4-c]pyridine hydrochloride 3-(Trifluoromethyl)-4,5,6,7-tetr…

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CAS Number: 733757-88-5

Other Names:

NA

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) 1.09 0.71 -48.54 2 3 1 41 192.164 1 ↓
Hi High (pH 8-9.5) 1.09 -0.64 -4.47 1 3 0 37 191.156 1 ↓

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

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