UCSF

ZINC00967173

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 9 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) 1.59 4.51 -4.77 0 1 0 13 121.183 0
Lo Low (pH 4.5-6) 1.59 4.74 -25.04 1 1 1 14 122.191 0

Activity (Go SEA)

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