UCSF

ZINC09373697

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 36 No

Popular Name: 4-[hydroxy-(4-isopropoxyphenyl)-methylene]-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-pyrrolidine-2,3-d 4-[hydroxy-(4-isopropoxyphenyl)-…

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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) 3.01 8.53 -54.42 0 10 -1 128 494.524 9 ↓
Mid Mid (pH 6-8) 2.42 0.07 -59.14 1 10 1 123 496.54 9 ↓
Mid Mid (pH 6-8) 3.45 10.59 -53.99 2 10 1 126 496.54 8 ↓
Mid Mid (pH 6-8) 3.01 10.87 -73.51 1 10 0 129 495.532 9 ↓

Activity (Go SEA)

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