UCSF

ZINC09069234

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 36 No

Popular Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-5-(4-isopropylphenyl)-1-(6-methoxybenzothiazol-2-yl)-pyrrolid 4-[(4-chlorophenyl)-hydroxy-meth…

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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) 6.86 13.35 -54.74 0 6 -1 83 518.014 6 ↓
Mid Mid (pH 6-8) 7.30 13.27 -19.18 1 6 0 80 519.022 5 ↓
Mid Mid (pH 6-8) 6.27 13.58 -10.95 0 6 0 77 519.022 6 ↓

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