UCSF

ZINC37001339

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.35 1.83 -90.77 5 5 2 70 259.394 6
Hi High (pH 8-9.5) 0.53 0.74 -52.52 4 5 1 77 258.386 6

Activity (Go SEA)

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