UCSF

ZINC22857468

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 27 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) 6.41 15.28 -6.46 1 6 0 57 386.931 4
Mid Mid (pH 6-8) 6.41 15.32 -24.66 2 6 1 58 387.939 4

Activity (Go SEA)

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