UCSF

ZINC33808669

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 4.99 13.19 -52.11 0 6 -1 83 469.561 11
Lo Low (pH 4.5-6) 4.99 11.89 -17.94 1 6 0 80 470.569 11

Activity (Go SEA)

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