UCSF

ZINC08995833

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 27 Yes

Popular Name: 9-amino-4-(3-methoxyphenyl)-N-(4-methyl-3H-thiazol-2-ylidene)-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,1 9-amino-4-(3-methoxyphenyl)-N-(4…

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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) 3.75 5.96 -15.5 3 6 0 90 396.497 4 ↓
Hi High (pH 8-9.5) 3.81 4.97 -54.04 2 6 -1 96 395.489 4 ↓
Lo Low (pH 4.5-6) 3.75 6.28 -36.69 4 6 1 91 397.505 4 ↓

Activity (Go SEA)

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