UCSF

ZINC69737586

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 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) 1.43 6.04 -47.83 2 6 1 57 337.366 6
Mid Mid (pH 6-8) 1.43 3.89 -18.37 1 6 0 56 336.358 6

Activity (Go SEA)

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