UCSF

ZINC22465140

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 24 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) 2.37 6.43 -47.01 2 5 1 46 323.42 4
Hi High (pH 8-9.5) 2.37 5.02 -11.22 1 5 0 42 322.412 4
Mid Mid (pH 6-8) 2.37 6.85 -83.45 3 5 2 48 324.428 4

Activity (Go SEA)

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