UCSF

ZINC54931098

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 16 Yes

Popular Name: N-methyl-5,6-dihydrobenzo[h]cinnolin-3-amine N-methyl-5,6-dihydrobenzo[h]cinn…

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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) 2.38 5.96 -10.86 1 3 0 38 211.268 1 ↓
Mid Mid (pH 6-8) 2.38 6.12 -27.92 2 3 1 39 212.276 1 ↓
Mid Mid (pH 6-8) 2.38 6.06 -24.58 2 3 1 39 212.276 1 ↓

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Rings

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

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