UCSF

ZINC39761723

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 34 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) 2.81 9.83 -32.44 2 9 0 115 513.571 10
Hi High (pH 8-9.5) 3.00 8.29 -70.03 1 9 -1 121 512.563 10

Activity (Go SEA)

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