UCSF

ZINC39854023

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 27 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) 4.57 8.19 -15.3 1 6 0 73 433.302 6
Hi High (pH 8-9.5) 4.57 9.31 -64.92 0 6 -1 76 432.294 6
Hi High (pH 8-9.5) 4.57 8.54 -59.42 0 6 -1 76 432.294 6

Activity (Go SEA)

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