UCSF

ZINC49740631

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 25 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) 2.56 8.16 -47.91 2 5 1 46 340.447 5
Mid Mid (pH 6-8) 2.56 5.81 -11.06 1 5 0 45 339.439 5

Activity (Go SEA)

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