UCSF

ZINC58310773

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 25 Yes

Popular Name: (6S)-N-(5-isopropyl-4H-1,2,4-triazol-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (6S)-N-(5-isopropyl-4H-1,2,4-tri…

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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) 3.33 10.43 -13.79 3 6 0 86 337.427 3 ↓
Hi High (pH 8-9.5) 3.33 10.18 -52.18 2 6 -1 85 336.419 3 ↓
Hi High (pH 8-9.5) 3.39 9.26 -50.13 2 6 -1 93 336.419 3 ↓

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Rings

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

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