UCSF

ZINC34676694

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 Yes

Popular Name: [2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenyl-met [2-(4-methylpiperazin-1-yl)-4-py…

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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) 2.28 14.05 -44.36 1 7 1 57 407.542 3 ↓
Mid Mid (pH 6-8) 2.28 11.89 -32.14 1 7 1 57 407.542 3 ↓
Mid Mid (pH 6-8) 2.28 11.71 -12.06 0 7 0 56 406.534 3 ↓
Mid Mid (pH 6-8) 2.28 14.23 -95.89 2 7 2 58 408.55 3 ↓

Activity (Go SEA)

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