UCSF

ZINC58180416

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 26 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) 1.54 8.26 -38.64 1 6 1 50 353.446 3
Mid Mid (pH 6-8) 1.54 7.96 -11.08 0 6 0 49 352.438 3

Activity (Go SEA)

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