UCSF

ZINC22356572

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 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) 3.21 4.08 -13.85 2 6 0 65 415.365 8
Hi High (pH 8-9.5) 3.21 6.26 -48.02 3 6 1 66 416.373 8

Activity (Go SEA)

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