UCSF

ZINC20171551

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 35 No

Popular Name: (5R)-3-hydroxy-5-(4-isopropylphenyl)-1-(3-morpholinopropyl)-4-[(E)-3-phenylprop-2-enoyl]-5H-pyrrol-2 (5R)-3-hydroxy-5-(4-isopropylphe…

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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) 4.41 11.63 -57.95 0 6 -1 73 473.593 8 ↓
Ref Reference (pH 7) 4.41 11.32 -62.31 0 6 -1 73 473.593 9 ↓
Mid Mid (pH 6-8) 4.41 13.7 -77.54 1 6 0 74 474.601 9 ↓
Mid Mid (pH 6-8) 4.41 14.06 -74.12 1 6 0 74 474.601 8 ↓
Lo Low (pH 4.5-6) 4.41 12.68 -49.73 2 6 1 71 475.609 9 ↓

Activity (Go SEA)

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