UCSF

ZINC33803762

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) 5.68 13.1 -44.46 0 6 -1 83 487.532 7
Lo Low (pH 4.5-6) 5.68 11.97 -17.68 1 6 0 80 488.54 7

Activity (Go SEA)

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