UCSF

ZINC12864869

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 5.30 8.75 -45.34 3 6 1 72 453.603 6

Activity (Go SEA)

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