UCSF

ZINC66325971

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 15 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) 0.74 -0.41 -9.04 4 5 0 85 210.233 5
Lo Low (pH 4.5-6) 0.74 -0.56 -44.82 5 5 1 86 211.241 5

Activity (Go SEA)

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