UCSF

ZINC43664472

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 24 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) 6.88 13.07 -50.99 1 3 -1 52 344.5 11
Lo Low (pH 4.5-6) 6.88 11.09 -6.89 2 3 0 49 345.508 11

Activity (Go SEA)

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