UCSF

ZINC14255527

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 22 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) 5.48 8.61 -7.9 1 3 0 46 317.454 5
Hi High (pH 8-9.5) 5.48 8.69 -42.28 0 3 -1 48 316.446 5

Activity (Go SEA)

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