UCSF

ZINC66184215

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 20 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) 4.18 9.2 -35.73 2 3 1 26 277.432 8
Hi High (pH 8-9.5) 4.18 6.98 -2.85 1 3 0 24 276.424 8

Activity (Go SEA)

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