UCSF

ZINC39500772

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 27 Yes

Popular Name: (3aS,8aS)-6-[methyl(m-tolylmethyl)amino]-3-pent-4-enyl-7,8a-dihydro-3aH-imidazo[4,5-e][1,3]diazepine (3aS,8aS)-6-[methyl(m-tolylmethy…

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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) 1.51 9.91 -17.28 1 7 0 77 367.453 7 ↓
Hi High (pH 8-9.5) 1.69 8.59 -46.27 0 7 -1 84 366.445 7 ↓

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

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