UCSF

ZINC25499152

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 6.50 11.77 -48.89 0 3 -1 49 375.517 5
Mid Mid (pH 6-8) 6.04 12.88 -10.52 1 3 0 46 376.525 5

Activity (Go SEA)

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