UCSF

ZINC50065132

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 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) 0.78 6.34 -46.12 1 5 1 57 227.284 7
Hi High (pH 8-9.5) 0.78 4.01 -12.17 0 5 0 56 226.276 7

Activity (Go SEA)

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