UCSF

ZINC08741320

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 25 Yes

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) 0.58 -0.35 -14.05 3 8 0 107 339.355 4
Lo Low (pH 4.5-6) 0.58 0.11 -46.93 4 8 1 108 340.363 4
Lo Low (pH 4.5-6) 0.77 2.76 -46.62 4 8 1 105 340.363 4

Activity (Go SEA)

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