UCSF

ZINC05684190

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 27 Yes

Popular Name: N-(3-hydroxy-5-phenyl-2,6,7,9-tetrazabicyclo[4.3.0]nona-2,7,9-trien-8-yl)-4-methyl-benzenesulfonamid N-(3-hydroxy-5-phenyl-2,6,7,9-te…

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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) 2.56 8.03 -45.86 1 8 -1 111 382.425 3 ↓
Mid Mid (pH 6-8) 2.39 7.13 -129.18 0 8 -2 114 381.417 4 ↓
Mid Mid (pH 6-8) 2.38 7.94 -28.98 2 8 0 109 383.433 4 ↓
Lo Low (pH 4.5-6) 2.38 9.07 -41.44 3 8 1 111 384.441 4 ↓
Lo Low (pH 4.5-6) 2.56 8.19 -22.77 2 8 0 112 383.433 3 ↓

Activity (Go SEA)

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