UCSF

ZINC40053271

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 34 No

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) 3.53 6.78 -64.56 1 8 -1 112 464.494 10
Mid Mid (pH 6-8) 3.53 6.03 -15.64 2 8 0 109 465.502 10

Activity (Go SEA)

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