UCSF

ZINC09234399

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 36 No

Popular Name: 4-[hydroxy-(4-isopropoxyphenyl)-methylene]-5-(4-nitrophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2, 4-[hydroxy-(4-isopropoxyphenyl)-…

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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) 2.46 8.33 -80.55 2 10 0 135 494.548 9 ↓
Mid Mid (pH 6-8) 2.91 10.47 -134.66 4 10 2 134 496.564 8 ↓
Mid Mid (pH 6-8) 1.88 -1.04 -141.1 3 10 2 130 496.564 9 ↓
Lo Low (pH 4.5-6) 2.46 7.51 -58.2 3 10 1 133 495.556 9 ↓

Activity (Go SEA)

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