UCSF

ZINC04552436

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 27 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) 6.16 13 -46.21 0 3 -1 57 365.493 5
Mid Mid (pH 6-8) 5.27 0.57 -8.77 0 3 0 51 366.501 5

Activity (Go SEA)

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