UCSF

ZINC37128045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 2.49 10.35 -45 2 1 1 17 314.499 2
Mid Mid (pH 6-8) 2.49 10.37 -5.32 1 1 0 12 313.491 2

Activity (Go SEA)

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