UCSF

ZINC34974886

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 1.47 5.6 -48.15 0 5 -1 53 249.319 5
Mid Mid (pH 6-8) 0.75 5.48 -13.01 1 5 0 56 250.327 5

Activity (Go SEA)

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