UCSF

ZINC42466190

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) -0.15 5.47 -19.32 0 4 0 47 199.25 4
Hi High (pH 8-9.5) 0.60 4.35 -58.14 0 4 -1 53 198.242 3

Activity (Go SEA)

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