UCSF

ZINC09013267

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 35 No

Popular Name: N-[5-(4-methoxyphenyl)-3-phenyl-2,6,7,9-tetrazabicyclo[4.3.0]nona-1,3,7-trien-8-yl]-4-nitro-benzamid N-[5-(4-methoxyphenyl)-3-phenyl-…

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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) 4.32 15.61 -24.58 1 10 0 127 468.473 6 ↓
Hi High (pH 8-9.5) 4.33 16.35 -51.44 1 10 -1 128 467.465 6 ↓
Hi High (pH 8-9.5) 4.33 16.61 -18.12 2 10 0 130 468.473 6 ↓
Mid Mid (pH 6-8) 4.32 15.93 -45.91 2 10 1 129 469.481 6 ↓

Activity (Go SEA)

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