UCSF

ZINC63003722

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 21 Yes

Popular Name: (2S,3aS,7aS)-N-[(1S)-2-hydroxy-1-phenyl-ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-[(1S)-2-hydroxy-1…

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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) 2.94 4.02 -37.48 4 4 1 66 289.399 4 ↓
Mid Mid (pH 6-8) 2.94 2.76 -8.35 3 4 0 61 288.391 4 ↓

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

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