UCSF

ZINC34929452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 4.23 10.79 -13.01 3 6 0 77 492.623 5
Mid Mid (pH 6-8) 4.23 11.97 -54.29 4 6 1 82 493.631 5

Activity (Go SEA)

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