UCSF

ZINC21041797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.78 6.53 -120.15 4 3 2 35 318.292 5
Mid Mid (pH 6-8) 2.78 4.13 -44.65 3 3 1 34 317.284 5

Activity (Go SEA)

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