UCSF

ZINC49962738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 21 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) 4.75 10.24 -55.89 2 1 1 17 294.34 5
Hi High (pH 8-9.5) 4.75 9.32 -5.3 1 1 0 12 293.332 5

Activity (Go SEA)

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