UCSF

ZINC62587367

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 34 No

Popular Name: (3S)-N-hexyl-1-[2-oxo-2-[3-[(Z)-pyrrolidin-2-ylideneamino]sulfonylanilino]ethyl]piperidine-3-carboxa (3S)-N-hexyl-1-[2-oxo-2-[3-[(Z)-…

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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) 3.21 7.06 -54.15 4 9 1 121 492.666 11 ↓
Hi High (pH 8-9.5) 3.21 5.02 -25.7 3 9 0 120 491.658 11 ↓
Hi High (pH 8-9.5) 3.21 4.9 -24.89 3 9 0 120 491.658 11 ↓

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

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