UCSF

ZINC22587032

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 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) 2.75 4.81 -43.19 2 5 1 46 332.346 6
Hi High (pH 8-9.5) 2.75 2.61 -9.43 1 5 0 45 331.338 6
Mid Mid (pH 6-8) 2.75 4.89 -38.56 2 5 1 46 332.346 6

Activity (Go SEA)

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