UCSF

ZINC48343094

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 25 No

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) 4.06 8.31 -15.87 1 5 0 60 352.415 3
Mid Mid (pH 6-8) 4.06 7.63 -47.6 0 5 -1 63 351.407 3

Activity (Go SEA)

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