UCSF

ZINC05799485

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 29 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) 4.05 1.68 -45.06 2 5 1 62 393.507 7
Mid Mid (pH 6-8) 3.02 1.38 -44.81 1 5 1 58 393.507 8

Activity (Go SEA)

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