UCSF

ZINC47829041

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

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) 1.97 4.49 -58.33 2 4 1 60 359.265 5
Hi High (pH 8-9.5) 1.97 3.29 -13.2 1 4 0 55 358.257 5

Activity (Go SEA)

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