UCSF

ZINC06382388

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 30 No

Popular Name: 4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(5-methyl-2-furyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-d 4-[(2,5-dimethylphenyl)-hydroxy-…

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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) 2.84 10.3 -65.49 0 6 -1 86 401.442 5 ↓
Mid Mid (pH 6-8) 2.84 0.87 -14.18 1 6 0 83 402.45 5 ↓
Mid Mid (pH 6-8) 2.26 0.74 -24.29 0 6 0 80 402.45 5 ↓
Lo Low (pH 4.5-6) 2.84 0.98 -40.14 2 6 1 84 403.458 5 ↓

Activity (Go SEA)

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