UCSF

ZINC22227287

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 33 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) 4.20 9.03 -52.04 2 7 1 76 442.543 4
Mid Mid (pH 6-8) 4.20 6.57 -15.62 1 7 0 74 441.535 4

Activity (Go SEA)

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