UCSF

ZINC04877071

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 26 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) 6.76 13.55 -40.95 0 3 -1 57 353.482 8
Mid Mid (pH 6-8) 5.87 0.8 -9.06 0 3 0 51 354.49 8

Activity (Go SEA)

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