UCSF

ZINC39277084

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 16 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) 3.08 7.15 -42.42 2 1 1 17 230.356 1
Mid Mid (pH 6-8) 3.08 5.87 -2.95 1 1 0 12 229.348 1

Activity (Go SEA)

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