UCSF

ZINC09009186

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 37 No

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

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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) 3.37 8.93 -53.21 0 10 -1 128 508.551 10 ↓
Mid Mid (pH 6-8) 2.78 11.98 -58.75 1 10 1 123 510.567 10 ↓
Mid Mid (pH 6-8) 3.37 11.64 -55.7 2 10 1 126 510.567 10 ↓
Mid Mid (pH 6-8) 3.37 11.28 -70.29 1 10 0 129 509.559 10 ↓

Activity (Go SEA)

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