UCSF

ZINC40061080

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 27 Yes

Popular Name: 2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethyl]piperazin-1-yl]-N-[(1S)-1-methylpropyl]aceta 2-[4-[2-(2,3-dihydro-1,4-benzoth…

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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) 2.35 7.67 -44.24 2 6 1 57 391.561 6 ↓
Mid Mid (pH 6-8) 2.35 7.65 -48.12 2 6 1 57 391.561 6 ↓
Mid Mid (pH 6-8) 2.35 5.47 -13.6 1 6 0 56 390.553 6 ↓

Activity (Go SEA)

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