UCSF

ZINC08918876

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 No

Popular Name: 1-(2-dimethylaminoethyl)-5-(4-fluorophenyl)-4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)-methylene]-pyrr 1-(2-dimethylaminoethyl)-5-(4-fl…

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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) 4.13 12.46 -74.74 1 6 0 74 454.542 9 ↓
Hi High (pH 8-9.5) 4.13 9.93 -55.14 0 6 -1 73 453.534 9 ↓
Mid Mid (pH 6-8) 3.54 2.28 -48.15 1 6 1 68 455.55 9 ↓

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