UCSF

ZINC65164178

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 29 No

Popular Name: (4R)-3-(5-chloro-2-hydroxy-4-methyl-phenyl)-4-(3-phenoxyphenyl)-5-(3-pyridylmethyl)-1,4-dihydropyrro (4R)-3-(5-chloro-2-hydroxy-4-met…

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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) 5.67 12.07 -11.78 2 7 0 91 522.992 6 ↓
Hi High (pH 8-9.5) 5.67 12.81 -46.94 1 7 -1 94 521.984 6 ↓
Mid Mid (pH 6-8) 4.78 8.83 -50.65 1 5 -1 77 427.571 6 ↓
Mid Mid (pH 6-8) 4.78 8.8 -12.37 2 5 0 75 428.579 6 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.