UCSF

ZINC31913410

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 1.73 4.17 -11.82 1 3 0 38 190.246 1
Mid Mid (pH 6-8) 1.73 4.57 -26.97 2 3 1 39 191.254 1

Activity (Go SEA)

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