UCSF

ZINC21062253

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.52 3.27 -57.55 4 4 1 73 260.292 5
Hi High (pH 8-9.5) 0.52 1.8 -12.31 3 4 0 68 259.284 5

Activity (Go SEA)

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