UCSF

ZINC36155994

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 Yes

Popular Name: 2-[[[(2S)-2-hydroxypentyl]-(2-morpholinoethyl)amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3 2-[[[(2S)-2-hydroxypentyl]-(2-mo…

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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) 2.50 6.19 -51.65 3 7 1 83 435.614 9 ↓
Hi High (pH 8-9.5) 2.50 4.16 -12.87 2 7 0 82 434.606 9 ↓
Hi High (pH 8-9.5) 2.96 3.76 -44.1 2 7 0 86 434.606 9 ↓
Lo Low (pH 4.5-6) 2.50 6.42 -47.9 3 7 1 83 435.614 9 ↓

Activity (Go SEA)

Rings

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