UCSF

ZINC20566099

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 20 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) 1.60 3.36 -16.59 3 5 0 96 287.344 4
Hi High (pH 8-9.5) 1.60 3.43 -40.42 2 5 -1 98 286.336 4

Activity (Go SEA)

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