UCSF

ZINC19911901

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 4.25 6.61 -39.07 3 2 1 37 244.358 5
Hi High (pH 8-9.5) 4.25 7.39 -31.4 2 2 0 40 243.35 5

Activity (Go SEA)

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