UCSF

ZINC22515481

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 29 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) 2.06 8.87 -13.92 0 6 0 55 389.455 3
Mid Mid (pH 6-8) 2.06 11.13 -48.76 1 6 1 56 390.463 3

Activity (Go SEA)

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