UCSF

ZINC39557369

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 20 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) 1.95 4.54 -90.82 0 5 -2 85 307.352 4
Lo Low (pH 4.5-6) 1.49 6.64 -48.52 1 5 -1 82 308.36 4

Activity (Go SEA)

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