UCSF

ZINC54931037

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 18 Yes

Popular Name: N,6,6-trimethyl-5H-benzo[h]cinnolin-3-amine N,6,6-trimethyl-5H-benzo[h]cinno…

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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) 3.35 6.84 -10.43 1 3 0 38 239.322 1 ↓
Mid Mid (pH 6-8) 3.35 6.94 -24.12 2 3 1 39 240.33 1 ↓
Mid Mid (pH 6-8) 3.35 7 -27.55 2 3 1 39 240.33 1 ↓

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Rings

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

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