UCSF

ZINC15989314

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 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) 1.93 7.51 -57.3 2 5 -1 81 297.762 5
Mid Mid (pH 6-8) 1.56 6.02 -32.94 3 5 0 86 298.77 6

Activity (Go SEA)

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