UCSF

ZINC43425960

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 0.59 3.17 -43.76 0 4 -1 53 198.242 3
Mid Mid (pH 6-8) 0.59 5.23 -43.31 1 4 0 54 199.25 3

Activity (Go SEA)

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