UCSF

ZINC27991735

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 28 Yes

Popular Name: (4R)-3-(5-chloro-2-hydroxy-phenyl)-4-(2-fluorophenyl)-5-(2-methoxyethyl)-1,4-dihydropyrrolo[4,3-d]py (4R)-3-(5-chloro-2-hydroxy-pheny…

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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) 3.50 6.2 -15.54 2 6 0 78 401.825 5 ↓
Hi High (pH 8-9.5) 3.50 7.28 -37.69 1 6 -1 81 400.817 5 ↓

Activity (Go SEA)

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