UCSF

ZINC34432822

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 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) 3.24 9.41 -32.5 1 1 1 4 224.755 3
Hi High (pH 8-9.5) 3.24 7.53 -2.78 0 1 0 3 223.747 3

Activity (Go SEA)

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