UCSF

ZINC42409422

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 13 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) 0.56 4.08 -82.44 3 3 2 24 187.331 4
Hi High (pH 8-9.5) 0.56 1.54 -36.56 2 3 1 23 186.323 4

Activity (Go SEA)

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