UCSF

ZINC33700976

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 37 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) 5.81 14.26 -47.93 0 7 -1 100 517.627 9
Lo Low (pH 4.5-6) 5.81 12.96 -18.36 1 7 0 97 518.635 9

Activity (Go SEA)

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