UCSF

ZINC20219611

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 39 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(3-methoxybenzoyl)-5-[3-methoxy-4-(p-tolylmethoxy)phenyl]- (5S)-1-(2-dimethylaminoethyl)-3-…

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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) 4.13 13.06 -81.26 1 8 0 93 530.621 11 ↓
Hi High (pH 8-9.5) 4.13 10.52 -63.55 0 8 -1 91 529.613 11 ↓
Lo Low (pH 4.5-6) 4.13 12.23 -62.06 2 8 1 90 531.629 11 ↓

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