UCSF

ZINC34953879

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 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) 4.28 12.3 -65.66 0 5 -1 73 425.508 6
Lo Low (pH 4.5-6) 4.28 11.42 -14.79 1 5 0 71 426.516 6

Activity (Go SEA)

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