UCSF

ZINC59051564

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2011 24 Yes

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) 5.24 11.98 -4.78 0 2 0 8 336.866 2
Mid Mid (pH 6-8) 5.24 14.38 -46.38 1 2 1 9 337.874 2

Activity (Go SEA)

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