UCSF

ZINC19897962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 1.60 6.5 -13.46 0 6 0 63 424.32 3
Mid Mid (pH 6-8) 1.60 8.89 -49.13 1 6 1 64 425.328 3

Activity (Go SEA)

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