UCSF

ZINC09014148

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 33 Yes

Popular Name: N-[3,5-bis(4-chlorophenyl)-2,6,7,9-tetrazabicyclo[4.3.0]nona-1,3,7-trien-8-yl]-4-chloro-benzamide N-[3,5-bis(4-chlorophenyl)-2,6,7…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 6.34 17.64 -19.74 1 6 0 72 496.785 4 ↓
Hi High (pH 8-9.5) 6.35 17.89 -44.85 1 6 -1 73 495.777 4 ↓
Hi High (pH 8-9.5) 6.35 18.16 -14.77 2 6 0 75 496.785 4 ↓
Mid Mid (pH 6-8) 6.34 17.97 -46.6 2 6 1 74 497.793 4 ↓

Activity (Go SEA)

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