UCSF

ZINC57895410

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 27 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) 2.23 5.44 -17.22 3 9 0 133 367.365 6
Lo Low (pH 4.5-6) 2.23 5.93 -44.13 4 9 1 134 368.373 6

Activity (Go SEA)

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