UCSF

ZINC05027444

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 25 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) 4.51 7.79 -42.15 0 4 -1 48 369.491 5
Lo Low (pH 4.5-6) 4.06 9.61 -11.47 1 4 0 45 370.499 5

Activity (Go SEA)

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