UCSF

ZINC39707678

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 26 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) 5.30 12.03 -41.03 1 3 1 23 354.514 1
Hi High (pH 8-9.5) 5.30 9.77 -6.18 0 3 0 22 353.506 1

Activity (Go SEA)

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