UCSF

ZINC40978061

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 26 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) 5.47 11.76 -12.77 1 4 0 51 431.355 6
Hi High (pH 8-9.5) 5.66 9.2 -43.49 0 4 -1 58 430.347 6

Activity (Go SEA)

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