UCSF

ZINC20484924

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 18 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) 4.96 8.89 -118.74 4 2 2 32 258.494 12
Mid Mid (pH 6-8) 4.96 7.2 -43.91 3 2 1 31 257.486 12

Activity (Go SEA)

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