UCSF

ZINC20521677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 17 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) 2.34 4.72 -47.37 3 2 1 31 257.76 2
Mid Mid (pH 6-8) 2.34 6.34 -39.94 3 2 1 30 257.76 2
Mid Mid (pH 6-8) 2.34 6.66 -118.35 4 2 2 32 258.768 2

Activity (Go SEA)

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