UCSF

ZINC33701244

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) 4.72 13.27 -45.39 0 4 -1 60 414.456 5
Lo Low (pH 4.5-6) 4.72 12.14 -19.23 1 4 0 58 415.464 5

Activity (Go SEA)

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