UCSF

ZINC44513522

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 20 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) 1.02 8.35 -105.38 4 4 2 60 270.38 3
Hi High (pH 8-9.5) 1.02 6.12 -50.32 3 4 1 59 269.372 3

Activity (Go SEA)

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