UCSF

ZINC09359530

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 37 No

Popular Name: 5-(4-ethoxy-3-methoxy-phenyl)-4-[hydroxy-(4-isopropoxyphenyl)-methylene]-1-(3-pyridylmethyl)pyrrolid 5-(4-ethoxy-3-methoxy-phenyl)-4-…

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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) 3.36 9.88 -59.74 0 8 -1 101 501.559 10 ↓
Mid Mid (pH 6-8) 3.80 9.66 -17.88 1 8 0 98 502.567 9 ↓
Mid Mid (pH 6-8) 2.78 0.59 -14.85 0 8 0 95 502.567 10 ↓
Lo Low (pH 4.5-6) 3.80 9.94 -50.36 2 8 1 99 503.575 9 ↓
Lo Low (pH 4.5-6) 2.78 0.7 -52.01 1 8 1 96 503.575 10 ↓

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