UCSF

ZINC52229554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 3.27 6.81 -7.91 0 1 0 17 221.058 3
Hi High (pH 8-9.5) 2.74 5.52 -42.75 0 1 -1 23 220.05 2

Activity (Go SEA)

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