UCSF

ZINC39324682

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 4.82 15.27 -14.33 4 14 0 199 467.446 9
Mid Mid (pH 6-8) 4.82 16.03 -42.02 3 14 -1 202 466.438 9

Activity (Go SEA)

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