UCSF

ZINC54475207

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2010 14 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) 1.52 7.89 -10.36 1 3 0 34 211.334 4
Hi High (pH 8-9.5) 2.25 8.04 -46.57 0 3 -1 31 210.326 4

Activity (Go SEA)

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