UCSF

ZINC53712436

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2010 17 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) 2.26 4.26 -44.78 2 4 1 46 232.307 1
Hi High (pH 8-9.5) 2.26 3.08 -7.89 1 4 0 41 231.299 1

Activity (Go SEA)

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