UCSF

ZINC52292896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 1.56 6.89 -9.69 1 3 0 34 197.307 2
Hi High (pH 8-9.5) 2.29 6.86 -46.03 0 3 -1 31 196.299 2

Activity (Go SEA)

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