UCSF

ZINC09042937

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 35 No

Popular Name: 4-[(3-chloro-4-methoxy-phenyl)-hydroxy-methylene]-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-pyrrolidin 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) 2.88 7.52 -53.68 0 10 -1 128 500.915 8 ↓
Mid Mid (pH 6-8) 2.29 10.04 -62 1 10 1 123 502.931 8 ↓
Mid Mid (pH 6-8) 3.32 10.03 -63.97 2 10 1 126 502.931 7 ↓
Mid Mid (pH 6-8) 2.88 9.85 -73.05 1 10 0 129 501.923 8 ↓

Activity (Go SEA)

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