UCSF

ZINC20720639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 31 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) 2.05 4.55 -18.36 3 8 0 114 435.871 3
Ref Reference (pH 7) 1.87 7.16 -17.73 3 8 0 110 435.871 3

Activity (Go SEA)

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