UCSF

ZINC38000667

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 1.63 3.89 -36.94 4 5 1 69 294.419 10
Hi High (pH 8-9.5) 1.63 1.77 -9.3 3 5 0 68 293.411 10

Activity (Go SEA)

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