UCSF

ZINC04959447

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 26 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) 4.70 8.68 -58 1 5 -1 71 413.247 2
Lo Low (pH 4.5-6) 4.70 6.7 -10.6 2 5 0 68 414.255 2

Activity (Go SEA)

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