UCSF

ZINC21801211

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 2.52 5.68 -33.09 4 4 1 60 305.229 5
Hi High (pH 8-9.5) 2.52 3.53 -9.36 3 4 0 58 304.221 5

Activity (Go SEA)

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