UCSF

ZINC20264053

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 35 No

Popular Name: (5S)-3-hydroxy-5-(3-methoxy-4-propoxy-phenyl)-1-(3-morpholinopropyl)-4-(thiophene-2-carbonyl)-5H-pyr (5S)-3-hydroxy-5-(3-methoxy-4-pr…

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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) 2.95 7.66 -65.93 0 8 -1 91 499.609 11 ↓
Mid Mid (pH 6-8) 2.95 9.99 -88.23 1 8 0 93 500.617 11 ↓
Lo Low (pH 4.5-6) 2.95 9.04 -60.09 2 8 1 90 501.625 11 ↓

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