UCSF

ZINC34679963

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 4.45 12.65 -16.85 1 5 0 62 467.544 8
Lo Low (pH 4.5-6) 4.45 13.11 -48.9 2 5 1 64 468.552 8

Activity (Go SEA)

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