UCSF

ZINC40137557

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 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) 3.67 10.56 -24.95 1 8 0 91 445.475 9
Ref Reference (pH 7) 3.67 10.68 -18.35 1 8 0 91 445.475 9

Activity (Go SEA)

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