UCSF

ZINC25260255

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 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) 4.23 13.71 -44.84 2 3 1 44 356.493 8
Hi High (pH 8-9.5) 4.23 12.85 -8.13 1 3 0 39 355.485 8

Activity (Go SEA)

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