UCSF

ZINC22587915

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 20 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) 3.87 9.52 -31.75 1 2 1 8 273.444 3
Hi High (pH 8-9.5) 3.87 7.36 -2.16 0 2 0 6 272.436 3

Activity (Go SEA)

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