UCSF

ZINC20107905

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.94 9.22 -14.96 1 6 0 50 449.02 10
Mid Mid (pH 6-8) 2.94 11.55 -49.82 2 6 1 51 450.028 10
Lo Low (pH 4.5-6) 2.94 11.99 -110.36 3 6 2 52 451.036 10

Activity (Go SEA)

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