UCSF

ZINC27019586

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 37 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) 6.16 16.46 -19.19 0 5 0 51 504.659 6
Lo Low (pH 4.5-6) 6.16 17.39 -37.38 1 5 1 52 505.667 6

Activity (Go SEA)

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