UCSF

ZINC59940864

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 12 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) -0.62 0.13 -90.97 5 4 2 62 173.26 4
Hi High (pH 8-9.5) -0.62 -1.27 -44.78 4 4 1 58 172.252 4

Activity (Go SEA)

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