UCSF

ZINC19997886

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 26 Yes

Popular Name: 4-(4-benzylpiperazin-1-yl)-5H-pyrimido[5,6-b]indole 4-(4-benzylpiperazin-1-yl)-5H-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) 3.38 11.42 -44.33 2 5 1 49 344.442 3 ↓
Mid Mid (pH 6-8) 3.38 9.2 -8.13 1 5 0 48 343.434 3 ↓

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Rings

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