UCSF

ZINC34939721

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) 0.82 2.05 -39.43 3 4 1 49 228.36 5
Hi High (pH 8-9.5) 0.82 0.7 -6.52 2 4 0 44 227.352 5

Activity (Go SEA)

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