UCSF

ZINC34993347

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 2.98 6.06 -38.32 3 4 1 55 344.273 8
Hi High (pH 8-9.5) 2.98 4.8 -8.27 2 4 0 50 343.265 8

Activity (Go SEA)

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