UCSF

ZINC49235821

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 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) 2.73 8.67 -4.25 1 3 0 38 217.316 5
Mid Mid (pH 6-8) 2.73 9.04 -28.48 2 3 1 39 218.324 5

Activity (Go SEA)

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