UCSF

ZINC57290172

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 24 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) 4.13 8.63 -7.09 1 4 0 36 343.858 4
Mid Mid (pH 6-8) 4.13 8.68 -32.88 2 4 1 37 344.866 4

Activity (Go SEA)

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