UCSF

ZINC20713801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 31 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) 3.24 5.75 -8.52 0 6 0 55 424.472 4
Mid Mid (pH 6-8) 3.24 8.02 -48.14 1 6 1 56 425.48 4

Activity (Go SEA)

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