UCSF

ZINC37799133

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.80 1.04 -39.7 5 5 1 91 270.74 5
Hi High (pH 8-9.5) 0.80 0.71 -13.03 4 5 0 89 269.732 5

Activity (Go SEA)

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