UCSF

ZINC49557838

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 14 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) 0.55 5 -41.07 1 3 1 25 199.318 4
Mid Mid (pH 6-8) 0.55 6.85 -111.63 2 3 2 26 200.326 4

Activity (Go SEA)

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