UCSF

ZINC21302625

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 13 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) 0.17 -2.76 -14.5 5 5 0 99 182.179 2
Ref Reference (pH 7) 0.30 -3.1 -40.91 6 5 1 98 183.187 3

Activity (Go SEA)

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