UCSF

ZINC37997582

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 3.75 11.46 -104.45 3 2 2 21 276.468 8
Hi High (pH 8-9.5) 3.75 9.53 -41.45 2 2 1 20 275.46 8
Hi High (pH 8-9.5) 3.75 10.1 -32.53 2 2 1 16 275.46 8

Activity (Go SEA)

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