UCSF

ZINC34550130

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) 1.25 6.17 -45.98 1 3 1 25 191.254 1
Hi High (pH 8-9.5) 1.25 3.76 -8.32 0 3 0 24 190.246 1

Activity (Go SEA)

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