UCSF

ZINC08792343

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 34 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) 3.46 -1.63 -20.57 1 7 0 85 448.482 5
Lo Low (pH 4.5-6) 3.46 -1.52 -53.56 2 7 1 86 449.49 5
Lo Low (pH 4.5-6) 3.46 -1.46 -52.02 2 7 1 86 449.49 5
Lo Low (pH 4.5-6) 3.46 -1.35 -91.81 3 7 2 88 450.498 5

Activity (Go SEA)

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