UCSF

ZINC09045186

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 36 No

Popular Name: 4-[(3-chloro-4-methoxy-phenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(4-nitrophenyl)-pyrrolidi 4-[(3-chloro-4-methoxy-phenyl)-h…

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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) 3.15 8.31 -54.37 0 10 -1 128 514.942 9 ↓
Mid Mid (pH 6-8) 2.56 10.93 -63.07 1 10 1 123 516.958 9 ↓
Mid Mid (pH 6-8) 3.59 10.28 -55.8 2 10 1 126 516.958 8 ↓
Mid Mid (pH 6-8) 3.15 10.64 -75.57 1 10 0 129 515.95 9 ↓

Activity (Go SEA)

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