UCSF

ZINC57920010

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 23 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) 1.61 6.35 -49.81 2 5 1 61 323.367 6
Mid Mid (pH 6-8) 1.61 4.08 -15.53 1 5 0 59 322.359 6

Activity (Go SEA)

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