UCSF

ZINC13990261

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 32 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) 5.60 14.35 -12.95 1 4 0 49 426.56 6

Activity (Go SEA)

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