UCSF

ZINC67298255

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 23 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) 3.49 3.21 -30.06 4 5 1 90 309.345 2
Hi High (pH 8-9.5) 3.55 5.43 -22.42 3 5 0 85 308.337 3

Activity (Go SEA)

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