UCSF

ZINC36118571

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 33 Yes

Popular Name: 3-[[4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3- 3-[[4-(4-phenyl-3,6-dihydro-2H-p…

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Vendors

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) -0.46 7.48 -39.62 2 6 1 76 442.539 4 ↓
Hi High (pH 8-9.5) -0.46 8.27 -21.07 1 6 0 79 441.531 4 ↓
Hi High (pH 8-9.5) 3.13 9.28 -12.44 1 6 0 73 441.531 5 ↓
Mid Mid (pH 6-8) -0.46 8.54 -114.63 3 6 2 78 443.547 4 ↓

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

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