UCSF

ZINC21064028

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.02 2.77 -12.58 1 7 0 80 360.458 4
Mid Mid (pH 6-8) 2.02 4.44 -52.5 2 7 1 82 361.466 4

Activity (Go SEA)

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