UCSF

ZINC39854115

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.04 8.8 -13.57 1 5 0 64 358.825 6
Hi High (pH 8-9.5) 5.04 9.92 -62.26 0 5 -1 67 357.817 6
Hi High (pH 8-9.5) 5.04 9.1 -55.93 0 5 -1 67 357.817 6

Activity (Go SEA)

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