UCSF

ZINC09184898

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 37 No

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) 3.28 8.78 -50.28 2 9 1 99 511.595 10
Mid Mid (pH 6-8) 2.25 -0.5 -53.05 1 9 1 95 511.595 11

Activity (Go SEA)

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