UCSF

ZINC02520977

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 25 No

Popular Name: (4S)-2-amino-5-keto-4-phenyl-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile (4S)-2-amino-5-keto-4-phenyl-1-(…

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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) 1.11 12.2 -17.78 3 7 0 112 332.367 2 ↓
Lo Low (pH 4.5-6) 1.11 11.71 -45.6 4 7 1 113 333.375 2 ↓

Activity (Go SEA)

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