UCSF

ZINC01196704

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 27 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) 4.37 7.64 -22.1 2 5 0 75 380.469 5
Hi High (pH 8-9.5) 4.37 7.71 -54.47 1 5 -1 77 379.461 5

Activity (Go SEA)

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