UCSF

ZINC39965023

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 34 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) 3.74 6.91 -16.02 1 9 0 120 504.634 8
Mid Mid (pH 6-8) 3.74 9.07 -62.83 2 9 1 121 505.642 8

Activity (Go SEA)

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