UCSF

ZINC33991310

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 37 Yes

Popular Name: (3R,4R)-4-[(3S)-3-amino-3-(6-methoxy-4-quinolyl)propyl]-1-[3-(2,3,5-trifluorophenyl)prop-2-ynyl]pipe (3R,4R)-4-[(3S)-3-amino-3-(6-met…

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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) 2.56 13.4 -74.77 4 6 1 94 512.552 7 ↓
Hi High (pH 8-9.5) 2.56 12.96 -46.64 3 6 0 93 511.544 7 ↓

Activity (Go SEA)

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