UCSF

ZINC35966379

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 26 Yes

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) 2.44 8.81 -44.38 3 7 1 79 359.45 8
Mid Mid (pH 6-8) 2.44 8.3 -16.29 2 7 0 77 358.442 8

Activity (Go SEA)

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