UCSF

ZINC55342216

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 21 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) 1.24 5.48 -38.77 3 5 1 68 294.419 6
Mid Mid (pH 6-8) 1.24 3.21 -10.01 2 5 0 67 293.411 6

Activity (Go SEA)

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