UCSF

ZINC08899886

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-5-(4-chlorophenyl)-1-(2-dimethylaminoethyl)pyrrolid 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) 4.96 13.01 -74.13 1 6 0 74 470.997 10 ↓
Hi High (pH 8-9.5) 4.96 10.47 -54.94 0 6 -1 73 469.989 10 ↓
Mid Mid (pH 6-8) 4.37 12.79 -47.6 1 6 1 68 472.005 10 ↓
Mid Mid (pH 6-8) 5.40 12.76 -45.53 2 6 1 71 472.005 9 ↓

Activity (Go SEA)

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