UCSF

ZINC59124821

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 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) -3.49 -8.48 -42.56 7 7 1 127 235.26 2
Hi High (pH 8-9.5) -3.49 -9.86 -12.12 6 7 0 122 234.252 2

Activity (Go SEA)

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