UCSF

ZINC01849763

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 16 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) 4.22 9.01 -27.02 1 1 1 4 236.404 2
Hi High (pH 8-9.5) 4.22 7.41 -1.25 0 1 0 3 235.396 2

Activity (Go SEA)

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