UCSF

ZINC34939400

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 3.59 3.8 -45.49 3 3 1 54 259.716 2
Hi High (pH 8-9.5) 3.59 3.47 -5.79 2 3 0 52 258.708 2

Activity (Go SEA)

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