UCSF

ZINC22467824

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 23 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) 0.49 0.33 -15.94 2 6 0 73 322.405 8
Mid Mid (pH 6-8) 0.49 2.73 -42.82 3 6 1 74 323.413 8
Mid Mid (pH 6-8) 0.49 2.68 -47.52 3 6 1 74 323.413 8

Activity (Go SEA)

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