UCSF

ZINC34546545

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 2.97 9.14 -17.29 0 2 0 34 224.687 5
Hi High (pH 8-9.5) 3.71 8.05 -52.08 0 2 -1 40 223.679 4

Activity (Go SEA)

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