UCSF

ZINC34556873

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 No

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) -0.88 0.8 -11.09 3 8 0 124 262.225 1
Hi High (pH 8-9.5) 0.03 -1.27 -42.66 2 8 -1 127 261.217 1

Activity (Go SEA)

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