UCSF

ZINC16777225

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 24 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) 5.75 8.46 -37.51 0 4 -1 62 397.694 4
Lo Low (pH 4.5-6) 5.29 8.6 -17.82 1 4 0 59 398.702 4

Activity (Go SEA)

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