UCSF

ZINC25449676

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 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) 3.43 5.42 -28.74 2 7 0 101 442.444 7
Mid Mid (pH 6-8) 3.50 4.51 -54.51 1 7 -1 107 441.436 7

Activity (Go SEA)

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