UCSF

ZINC06458149

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 26 Yes

Popular Name: 3-[5-(3-methoxyphenyl)-3-(2-thienyl)-2,6,7,9-tetrazabicyclo[4.3.0]nona-3,7,9-trien-8-yl]propan-1-ol 3-[5-(3-methoxyphenyl)-3-(2-thie…

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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) 2.95 7.9 -16.46 1 6 0 73 368.462 6 ↓
Mid Mid (pH 6-8) 2.96 9.28 -39.6 3 6 1 77 369.47 6 ↓
Lo Low (pH 4.5-6) 2.95 8.32 -35.08 2 6 1 74 369.47 6 ↓

Activity (Go SEA)

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