UCSF

ZINC37476743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 11 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) 1.37 3.35 -33.65 2 2 1 20 157.281 6
Mid Mid (pH 6-8) 1.37 5.67 -105.58 3 2 2 21 158.289 6

Activity (Go SEA)

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