UCSF

ZINC33814141

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 30 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) 2.63 9.94 -59.48 0 7 -1 87 404.446 6
Lo Low (pH 4.5-6) 2.63 8.63 -20.65 1 7 0 84 405.454 6

Activity (Go SEA)

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