UCSF

ZINC33554829

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 34 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) 4.73 13.12 -52.62 0 8 -1 119 474.449 5
Lo Low (pH 4.5-6) 4.73 11.82 -23.27 1 8 0 116 475.457 5

Activity (Go SEA)

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