UCSF

ZINC33698041

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 3.48 10.66 -37.44 0 5 -1 73 415.444 5
Lo Low (pH 4.5-6) 3.48 9.52 -16.41 1 5 0 71 416.452 5
Lo Low (pH 4.5-6) 3.48 9.96 -48.09 2 5 1 72 417.46 5

Activity (Go SEA)

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