UCSF

ZINC13546746

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 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) 6.67 13.31 -14.71 1 8 0 110 489.553 7
Mid Mid (pH 6-8) 6.18 13.22 -45.46 0 8 -1 108 488.545 8

Activity (Go SEA)

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