UCSF

ZINC34604869

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 21 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) 4.41 11.21 -2.95 0 1 0 3 277.411 6
Lo Low (pH 4.5-6) 4.41 12.44 -32.05 1 1 1 4 278.419 6

Activity (Go SEA)

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