UCSF

ZINC33698671

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 3.42 11.1 -42.22 0 6 -1 77 440.523 6
Lo Low (pH 4.5-6) 3.42 9.97 -16.37 1 6 0 74 441.531 6

Activity (Go SEA)

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