UCSF

ZINC34677005

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 28 Yes

Popular Name: cyclopropyl-[4-(4-methylpiperazin-1-yl)-2-(1-piperidyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]m cyclopropyl-[4-(4-methylpiperazi…

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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) 2.42 13.47 -40.86 1 7 1 57 385.536 3 ↓
Mid Mid (pH 6-8) 2.42 13.76 -83.53 2 7 2 58 386.544 3 ↓
Mid Mid (pH 6-8) 2.42 11.1 -11.65 0 7 0 56 384.528 3 ↓

Activity (Go SEA)

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