UCSF

ZINC43470049

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 4.40 10.34 -42.22 2 3 1 34 351.312 8
Hi High (pH 8-9.5) 4.40 9.37 -5.14 1 3 0 30 350.304 8

Activity (Go SEA)

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