UCSF

ZINC19671322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 2.93 5.18 -55.19 3 4 1 55 292.742 4
Hi High (pH 8-9.5) 2.93 4.91 -5.62 2 4 0 54 291.734 4

Activity (Go SEA)

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