UCSF

ZINC08836571

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 33 No

Popular Name: 5-(3,4-dichlorophenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(3-pyridylmethyl)pyrrolid 5-(3,4-dichlorophenyl)-4-[hydrox…

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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) 4.26 9.95 -62.23 0 6 -1 83 482.343 6 ↓
Mid Mid (pH 6-8) 3.67 0.06 -15.98 0 6 0 76 483.351 6 ↓
Lo Low (pH 4.5-6) 4.70 0.53 -52.15 2 6 1 80 484.359 5 ↓
Lo Low (pH 4.5-6) 3.67 0.17 -48.9 1 6 1 77 484.359 6 ↓
Lo Low (pH 4.5-6) 4.26 9.13 -20.81 1 6 0 80 483.351 6 ↓

Activity (Go SEA)

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