UCSF

ZINC14806322

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 23 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) 1.21 1.88 -22.86 4 10 0 138 424.173 1
Lo Low (pH 4.5-6) 1.21 2.25 -46.28 5 10 1 139 425.181 1
Lo Low (pH 4.5-6) 1.21 -1.83 -48.32 5 10 1 139 425.181 1

Activity (Go SEA)

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