UCSF

ZINC06501979

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 28 Yes

Popular Name: 3-[2-(3-methoxyphenyl)-4-(p-tolyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-trien-8-yl]propan-1-ol 3-[2-(3-methoxyphenyl)-4-(p-toly…

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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) 3.50 10.1 -15.95 1 6 0 73 376.46 6 ↓
Mid Mid (pH 6-8) 3.51 10.96 -30.31 3 6 1 77 377.468 6 ↓
Mid Mid (pH 6-8) 3.50 10.57 -30.32 2 6 1 74 377.468 6 ↓
Lo Low (pH 4.5-6) 3.50 10.4 -36.57 2 6 1 74 377.468 6 ↓

Activity (Go SEA)

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