UCSF

ZINC12031918

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 37 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) 4.79 -3.27 -12.33 2 6 0 78 493.607 5

Activity (Go SEA)

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