UCSF

ZINC36118608

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 Yes

Popular Name: 3-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-en 3-[[4-[(3S,5S)-3,5-dimethylpiper…

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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) -0.82 4.75 -41.3 2 6 1 76 396.511 3 ↓
Hi High (pH 8-9.5) 2.76 7.18 -11.23 1 6 0 73 395.503 4 ↓
Mid Mid (pH 6-8) -0.82 6.45 -111.85 3 6 2 78 397.519 3 ↓
Mid Mid (pH 6-8) -0.82 5.54 -25.32 1 6 0 79 395.503 3 ↓

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Rings

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

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