UCSF

ZINC22218437

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 1.74 4.56 -38.22 4 5 1 63 291.419 5
Hi High (pH 8-9.5) 1.74 2.26 -11.27 3 5 0 62 290.411 5

Activity (Go SEA)

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