UCSF

ZINC22153117

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 1.31 1.89 -10.31 3 5 0 68 297.786 4
Mid Mid (pH 6-8) 1.31 4.23 -44.83 4 5 1 69 298.794 4

Activity (Go SEA)

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