UCSF

ZINC12538915

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 27 No

Popular Name: 2-[[4-(ethyl-isopropyl-amino)phenyl]amino]-3-nitro-pyrido[2,1-b]pyrimidin-4-one 2-[[4-(ethyl-isopropyl-amino)phe…

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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) 4.21 12.46 -55.23 2 8 0 97 368.417 6 ↓
Hi High (pH 8-9.5) 4.40 11.61 -65.09 1 8 0 103 367.409 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.