UCSF

ZINC35774048

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 36 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) 3.37 11.2 -18.85 0 6 0 53 509.647 10
Mid Mid (pH 6-8) 3.37 13.46 -55.47 1 6 1 54 510.655 10

Activity (Go SEA)

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