UCSF

ZINC43975987

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.00 7.41 -33.07 2 4 1 38 289.484 12
Mid Mid (pH 6-8) 3.00 5.45 -27.63 2 4 1 35 289.484 12

Activity (Go SEA)

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