UCSF

ZINC16247520

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 36 No

Popular Name: (5R)-5-(4-allyloxy-3-methoxy-phenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(2-morpholinoethyl)-5H-pyrrol-2 (5R)-5-(4-allyloxy-3-methoxy-phe…

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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) 2.99 7.95 -61.63 0 8 -1 91 491.564 10 ↓
Mid Mid (pH 6-8) 3.44 9.18 -58.39 2 8 1 90 493.58 9 ↓
Mid Mid (pH 6-8) 2.41 10.2 -62.08 1 8 1 87 493.58 10 ↓
Mid Mid (pH 6-8) 2.99 10.29 -73.22 1 8 0 93 492.572 10 ↓

Activity (Go SEA)

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