UCSF

ZINC58013689

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 26 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) 2.65 10.48 -44.52 2 5 1 54 372.514 8
Hi High (pH 8-9.5) 2.65 8.23 -15.81 1 5 0 53 371.506 8

Activity (Go SEA)

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