UCSF

ZINC39743639

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 36 No

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) 5.47 12.86 -22.06 2 9 0 130 495.52 6
Hi High (pH 8-9.5) 5.54 10.58 -50.66 1 9 -1 136 494.512 6

Activity (Go SEA)

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