UCSF

ZINC33789728

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 33 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) 5.59 11.5 -41.92 0 6 -1 83 495.989 6
Lo Low (pH 4.5-6) 5.59 10.37 -18.25 1 6 0 80 496.997 6

Activity (Go SEA)

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