UCSF

ZINC08765289

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 21 Yes

Popular Name: but-2-enyl-trimethyl-BLAHdione but-2-enyl-trimethyl-BLAHdione

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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) 1.80 0.31 -10.64 0 7 0 74 288.307 2 ↓
Mid Mid (pH 6-8) 1.80 1.19 -32.69 1 7 1 75 289.315 2 ↓

Activity (Go SEA)

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