UCSF

ZINC27558346

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 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) 2.04 3.22 -8.5 4 3 0 65 209.252 0
Lo Low (pH 4.5-6) 2.04 3.74 -26.82 5 3 1 66 210.26 0

Activity (Go SEA)

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