UCSF

ZINC35815682

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.93 14.01 -10 1 4 0 45 515.698 12
Lo Low (pH 4.5-6) 5.93 16.02 -50.02 2 4 1 46 516.706 12

Activity (Go SEA)

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