UCSF

ZINC04310738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 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) 3.21 -1.3 -41.22 1 6 1 57 409.535 7
Mid Mid (pH 6-8) 3.21 -0.29 -101.52 2 6 2 59 410.543 7

Activity (Go SEA)

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