UCSF

ZINC39308556

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.43 8.68 -45.38 3 4 1 54 362.449 4
Mid Mid (pH 6-8) 4.43 6.52 -9.38 2 4 0 53 361.441 4

Activity (Go SEA)

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