UCSF

ZINC09271688

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 32 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-phenyl-pyrrolidine-2,3-d 4-[(4-butoxy-3-methyl-phenyl)-hy…

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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) 4.28 12 -71.16 1 6 0 74 436.552 10 ↓
Hi High (pH 8-9.5) 4.28 9.47 -58.62 0 6 -1 73 435.544 10 ↓
Mid Mid (pH 6-8) 4.72 2.37 -47.21 2 6 1 71 437.56 9 ↓
Mid Mid (pH 6-8) 3.70 1.75 -45.77 1 6 1 68 437.56 10 ↓

Activity (Go SEA)

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