UCSF

ZINC39885830

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 Yes

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) 7.25 12.78 -12.42 1 5 0 64 502.876 9
Hi High (pH 8-9.5) 7.31 11.09 -39.95 0 5 -1 70 501.868 9

Activity (Go SEA)

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