UCSF

ZINC20216249

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 10 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) -2.24 -3.82 -57.22 3 4 0 62 143.19 1
Hi High (pH 8-9.5) -2.24 -3.1 -9.15 3 4 0 58 143.19 1
Hi High (pH 8-9.5) -2.24 -4.22 -38.38 2 4 -1 60 142.182 1

Activity (Go SEA)

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