UCSF

ZINC49591286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 28 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) 5.08 13.55 -94.04 2 5 2 44 378.52 6
Mid Mid (pH 6-8) 5.08 11.33 -24.92 1 5 1 43 377.512 6

Activity (Go SEA)

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