UCSF

ZINC43972682

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 4.52 10.81 -32.42 2 2 1 16 277.476 7
Mid Mid (pH 6-8) 4.52 10.38 -111.57 3 2 2 21 278.484 7

Activity (Go SEA)

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