UCSF

ZINC67431979

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 21 Yes

Popular Name: N,N',N'-trimethyl-N-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)ethane-1,2-diamine N,N',N'-trimethyl-N-(4-methyl-7,…

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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) 3.14 11.88 -39.71 1 4 1 33 285.415 4 ↓
Hi High (pH 8-9.5) 3.14 9.4 -8.94 0 4 0 32 284.407 4 ↓
Lo Low (pH 4.5-6) 3.14 12.17 -80.42 2 4 2 35 286.423 4 ↓
Lo Low (pH 4.5-6) 3.14 12.2 -79.91 2 4 2 35 286.423 4 ↓

Activity (Go SEA)

Rings

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

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