UCSF

ZINC05578609

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 30 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) 3.83 10.04 -62.6 0 5 -1 70 398.438 6
Mid Mid (pH 6-8) 4.28 0.69 -18.76 1 5 0 66 399.446 5

Activity (Go SEA)

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