UCSF

ZINC13153543

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2008 31 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) 3.37 10.13 -13.96 1 7 0 88 439.537 8
Ref Reference (pH 7) 3.37 10.67 -13.16 1 7 0 88 439.537 8

Activity (Go SEA)

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