UCSF

ZINC22698943

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 28 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) 2.96 6.71 -10.37 1 7 0 73 405.52 8
Mid Mid (pH 6-8) 2.96 9.44 -51.92 2 7 1 74 406.528 8

Activity (Go SEA)

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