UCSF

ZINC19815115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 17 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) 3.85 5.16 -8.16 1 2 0 37 280.805 1
Mid Mid (pH 6-8) 4.71 6.36 -9.73 2 2 0 39 280.805 1

Activity (Go SEA)

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