UCSF

ZINC34984884

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 5.46 12.41 -15.05 1 6 0 62 486.66 6
Lo Low (pH 4.5-6) 5.46 14.82 -56.7 2 6 1 63 487.668 6

Activity (Go SEA)

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