UCSF

ZINC65534251

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: (4aR)-2-[4-[(2R)-tetrahydrofuran-2-yl]butylamino]-4a,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one (4aR)-2-[4-[(2R)-tetrahydrofuran…

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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) 1.52 5.95 -47.4 4 6 1 84 307.418 6 ↓
Hi High (pH 8-9.5) 1.98 4.02 -66.35 3 6 0 87 306.41 6 ↓

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

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