UCSF

ZINC27739255

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 16 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) -0.06 0.29 -45.04 5 5 1 86 230.332 6
Hi High (pH 8-9.5) -0.06 -0.03 -15.59 4 5 0 84 229.324 6

Activity (Go SEA)

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