UCSF

ZINC49942578

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 27 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) 2.94 6.05 -9.31 2 7 0 80 373.453 7
Mid Mid (pH 6-8) 2.57 4.77 -43.69 3 7 1 85 374.461 7

Activity (Go SEA)

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