UCSF

ZINC21050582

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 4.10 10.9 -111.14 3 2 2 21 276.468 7
Hi High (pH 8-9.5) 4.10 8.82 -34.93 2 2 1 20 275.46 7
Hi High (pH 8-9.5) 4.10 9.98 -32.96 2 2 1 16 275.46 7

Activity (Go SEA)

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