UCSF

ZINC62947116

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 Yes

Popular Name: 5-[[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]amino]pyridine-3-carboxylic 5-[[(2S,3aS,7aS)-2,3,3a,4,5,6,7,…

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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) 2.17 4.98 -74.36 3 6 0 99 289.335 3 ↓
Hi High (pH 8-9.5) 2.17 3.75 -60.42 2 6 -1 94 288.327 3 ↓
Lo Low (pH 4.5-6) 2.17 5.44 -92.75 4 6 1 100 290.343 3 ↓

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

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