UCSF

ZINC35815671

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 36 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) 5.22 12.22 -10.18 1 4 0 45 499.655 11
Mid Mid (pH 6-8) 5.22 15.35 -60.52 2 4 1 46 500.663 11

Activity (Go SEA)

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