UCSF

ZINC20722320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 28 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) 2.96 7.91 -12.87 1 6 0 71 372.428 3
Ref Reference (pH 7) 2.77 10.31 -10.77 1 6 0 67 372.428 3

Activity (Go SEA)

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