UCSF

ZINC03944867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 19 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) 1.98 6.75 -9.47 1 3 0 46 251.285 1
Ref Reference (pH 7) 1.98 6.72 -9.44 1 3 0 46 251.285 1
Hi High (pH 8-9.5) 2.90 6.77 -47.22 1 3 -1 56 250.277 1

Activity (Go SEA)

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