UCSF

ZINC34614832

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 2.96 8.89 -49.62 3 3 1 54 270.352 7
Hi High (pH 8-9.5) 2.96 8.54 -7.01 2 3 0 52 269.344 7

Activity (Go SEA)

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