UCSF

ZINC62945223

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide (2S)-2-(cyclopropylamino)-4-(1,3…

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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) 1.95 5.29 -44.17 4 4 1 60 288.415 6 ↓
Lo Low (pH 4.5-6) 1.95 6.23 -121.27 5 4 2 64 289.423 6 ↓
Lo Low (pH 4.5-6) 1.95 4.16 -41.29 4 4 1 63 288.415 6 ↓

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

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