UCSF

ZINC49544634

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 30 No

Popular Name: (5S)-3-[2-[(3aR,7aS)-3a,7a-dihydro-1H-indol-3-yl]ethyl]-5-[(5-chloropyrimidin-2-yl)amino]-5-(trifluo (5S)-3-[2-[(3aR,7aS)-3a,7a-dihyd…

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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) 2.04 3 -13.26 2 8 0 103 440.813 6 ↓
Ref Reference (pH 7) 2.41 6.27 -10.35 2 8 0 100 440.813 6 ↓
Hi High (pH 8-9.5) 2.04 3.82 -36.64 1 8 -1 106 439.805 6 ↓
Lo Low (pH 4.5-6) 2.41 7.24 -42.49 3 8 1 101 441.821 6 ↓

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

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