UCSF

ZINC19743987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 24 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) 5.15 8.55 -7.29 2 2 0 32 321.395 6
Hi High (pH 8-9.5) 5.15 9.04 -44.92 1 2 -1 35 320.387 6

Activity (Go SEA)

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