UCSF

ZINC05198563

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 22 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) 3.56 9.51 -13.34 0 5 0 68 294.31 4
Lo Low (pH 4.5-6) 3.56 9.86 -34.93 1 5 1 69 295.318 4

Activity (Go SEA)

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