UCSF

ZINC00380547

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 1,3-dimethyl-7-propyl-xanthine 1,3-dimethyl-7-propyl-xanthine

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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) 0.94 6.58 -11.13 0 6 0 62 222.248 2 ↓
Mid Mid (pH 6-8) 0.94 7.06 -47.36 1 6 1 63 223.256 2 ↓

Activity (Go SEA)

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