UCSF

ZINC37096964

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 Yes

Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-cyclopropyl-N-propyl-ethane-1,2-diamine (1S)-1-(5-chloro-2-thienyl)-N-cy…

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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) 2.67 4.61 -46.09 3 2 1 31 259.826 6 ↓
Hi High (pH 8-9.5) 2.67 4.26 -1.09 2 2 0 29 258.818 6 ↓
Lo Low (pH 4.5-6) 2.67 6.66 -126.15 4 2 2 32 260.834 6 ↓

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