UCSF

ZINC52289294

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 Yes

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) -0.34 1.78 -52.59 3 4 1 55 185.247 2
Hi High (pH 8-9.5) -0.34 0.42 -9.71 2 4 0 50 184.239 2

Activity (Go SEA)

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