UCSF

ZINC23066434

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 17 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) 1.09 6.31 -41.97 3 2 1 37 226.299 2
Hi High (pH 8-9.5) 1.09 5.95 -4.22 2 2 0 35 225.291 2

Activity (Go SEA)

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