UCSF

ZINC34592604

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 1.22 0.82 -55.97 5 8 1 125 411.5 10
Hi High (pH 8-9.5) 1.22 -0.41 -19.46 4 8 0 120 410.492 10

Activity (Go SEA)

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