UCSF

ZINC20728686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 26 Yes

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) 1.98 4.26 -11.76 2 6 0 80 348.337 1
Ref Reference (pH 7) 1.79 6.76 -9.65 2 6 0 76 348.337 1

Activity (Go SEA)

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