UCSF

ZINC36826730

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 17 No

Popular Name: [(3S)-3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]tetrahydrothiophen-3-yl]methanamine [(3S)-3-[(4aS,8aS)-3,4,4a,5,6,7,…

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Download: MOL2 SDF SMILES Flexibase

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 6.31 -123 4 2 2 32 256.459 2 ↓
Hi High (pH 8-9.5) 2.04 4.64 -1.34 2 2 0 29 254.443 2 ↓
Mid Mid (pH 6-8) 2.04 5.28 -48.92 3 2 1 31 255.451 2 ↓
Mid Mid (pH 6-8) 2.04 5.93 -27.29 3 2 1 30 255.451 2 ↓

Activity (Go SEA)

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