UCSF

ZINC65406646

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2011 21 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) 1.48 9.37 -88.72 2 4 2 29 295.471 2
Hi High (pH 8-9.5) 1.48 7.19 -44.44 1 4 1 28 294.463 2

Activity (Go SEA)

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