UCSF

ZINC08901257

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 32 No

Popular Name: 1-(2-dimethylaminoethyl)-4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)-methylene]-5-(3-pyridyl)pyrrolidin 1-(2-dimethylaminoethyl)-4-[hydr…

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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) 2.73 9.99 -72.47 1 7 0 87 437.54 9 ↓
Hi High (pH 8-9.5) 2.73 7.46 -60.16 0 7 -1 86 436.532 9 ↓
Mid Mid (pH 6-8) 2.14 10.26 -46.27 1 7 1 81 438.548 9 ↓
Mid Mid (pH 6-8) 3.17 9.62 -44.58 2 7 1 84 438.548 8 ↓
Lo Low (pH 4.5-6) 2.73 10.18 -101.2 3 7 2 85 439.556 9 ↓
Lo Low (pH 4.5-6) 2.14 10.55 -109.24 2 7 2 82 439.556 9 ↓

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