UCSF

ZINC22810988

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 29 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) 2.05 5.6 -50.89 3 7 1 75 397.499 7
Mid Mid (pH 6-8) 2.05 3.33 -18.41 2 7 0 74 396.491 7

Activity (Go SEA)

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