UCSF

ZINC22931614

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 34 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) 4.33 8.75 -55.68 1 8 1 86 467.5 6
Mid Mid (pH 6-8) 4.33 6.44 -13.87 0 8 0 84 466.492 6

Activity (Go SEA)

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