UCSF

ZINC08992983

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 28 No

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) 2.21 6.71 -22.84 1 7 0 87 445.317 5
Hi High (pH 8-9.5) 2.73 5.77 -38.2 0 7 -1 94 444.309 5
Lo Low (pH 4.5-6) 2.21 9.15 -44.3 2 7 1 89 446.325 5
Lo Low (pH 4.5-6) 2.21 8.98 -45.57 2 7 1 89 446.325 5

Activity (Go SEA)

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