UCSF

ZINC38575726

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 15 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) -3.33 -2.68 -63.33 2 6 0 85 238.309 4
Mid Mid (pH 6-8) -3.33 -5.05 -44.53 1 6 -1 84 237.301 4

Activity (Go SEA)

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