UCSF

ZINC23361878

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 24 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) 2.37 5.98 -17.5 2 7 0 97 350.444 8
Hi High (pH 8-9.5) 2.55 4.92 -44.11 1 7 -1 103 349.436 8

Activity (Go SEA)

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