UCSF

ZINC22691904

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 30 No

Popular Name: (3aS,7aR)-2-[(1S)-3-methyl-1-[4-(2-thienylmethyl)piperazine-1-carbonyl]butyl]-3a,4,7,7a-tetrahydrois (3aS,7aR)-2-[(1S)-3-methyl-1-[4-…

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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) 2.69 9.45 -12.54 0 6 0 61 429.586 6 ↓
Lo Low (pH 4.5-6) 2.69 11.67 -50.47 1 6 1 62 430.594 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.