UCSF

ZINC21882315

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 27 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) 2.31 5.58 -103.19 3 8 0 106 376.457 8
Hi High (pH 8-9.5) 2.31 3.34 -71.55 2 8 -1 105 375.449 8

Activity (Go SEA)

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