UCSF

ZINC33698661

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 36 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) 5.31 13.96 -54.75 0 6 -1 83 483.588 10
Lo Low (pH 4.5-6) 5.31 12.66 -17.99 1 6 0 80 484.596 10
Lo Low (pH 4.5-6) 5.31 13.11 -50.5 2 6 1 81 485.604 10

Activity (Go SEA)

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