UCSF

ZINC41679279

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 2.11 7.45 -58.25 0 5 -1 67 247.274 5
Mid Mid (pH 6-8) 2.11 7.94 -62.82 1 5 0 68 248.282 5

Activity (Go SEA)

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