UCSF

ZINC34934197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 4.25 12.35 -76.47 1 7 0 77 479.621 12
Lo Low (pH 4.5-6) 4.25 11.6 -47.95 2 7 1 75 480.629 12

Activity (Go SEA)

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