UCSF

ZINC22065579

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 22 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) 3.26 8 -9.61 0 4 0 47 337.828 4
Mid Mid (pH 6-8) 3.26 9.75 -46.27 1 4 1 48 338.836 4

Activity (Go SEA)

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