UCSF

ZINC26507586

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) -0.30 6.13 -119.98 0 7 -2 111 275.216 4
Mid Mid (pH 6-8) -0.30 5.24 -63.02 1 7 -1 115 276.224 4

Activity (Go SEA)

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