UCSF

ZINC20225383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 2.78 6.53 -52.27 3 2 1 31 275.803 5
Mid Mid (pH 6-8) 2.78 8.65 -137.58 4 2 2 32 276.811 5

Activity (Go SEA)

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