UCSF

ZINC21657818

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) -0.48 6.33 -45.84 1 4 0 53 262.284 3
Hi High (pH 8-9.5) 0.82 5.9 -52.5 0 4 -1 56 261.276 3

Activity (Go SEA)

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