UCSF

ZINC05799182

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 30 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) 3.65 1.32 -44.73 2 6 1 71 409.506 7
Mid Mid (pH 6-8) 2.62 1.14 -45.48 1 6 1 68 409.506 8

Activity (Go SEA)

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