UCSF

ZINC39557334

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 27 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) 4.75 12.37 -49.27 0 6 -1 88 368.409 10
Lo Low (pH 4.5-6) 4.75 12.72 -71.9 1 6 0 90 369.417 10

Activity (Go SEA)

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