UCSF

ZINC25300969

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 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) 1.18 1.61 -10.73 2 5 0 56 321.396 6
Mid Mid (pH 6-8) 1.18 3.87 -45.59 3 5 1 57 322.404 6

Activity (Go SEA)

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