UCSF

ZINC12036992

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2008 33 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) 2.84 -0.39 -19.76 1 7 0 85 454.498 6

Activity (Go SEA)

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