UCSF

ZINC38574072

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 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) 4.31 13.13 -48.66 1 4 -1 69 382.439 3
Lo Low (pH 4.5-6) 4.31 11.03 -13.48 2 4 0 66 383.447 3

Activity (Go SEA)

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