UCSF

ZINC47795960

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2010 21 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) 3.03 5.72 -47.2 2 6 1 63 298.407 5
Mid Mid (pH 6-8) 3.03 3.55 -13.22 1 6 0 62 297.399 5

Activity (Go SEA)

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