UCSF

ZINC39277485

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 19 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) 3.33 10 -120.56 3 2 2 21 260.425 4
Hi High (pH 8-9.5) 3.33 7.65 -37.17 2 2 1 20 259.417 4
Mid Mid (pH 6-8) 3.33 8.64 -33.83 2 2 1 16 259.417 4

Activity (Go SEA)

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