UCSF

ZINC54111846

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 14 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) 0.74 3.58 -36.24 4 4 1 55 195.29 5
Hi High (pH 8-9.5) 0.74 1.27 -5.5 3 4 0 54 194.282 5

Activity (Go SEA)

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