UCSF

ZINC26017671

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 18 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) 1.40 1.93 -37.09 1 5 -1 78 242.258 3
Lo Low (pH 4.5-6) 0.94 2.75 -9.66 2 5 0 75 243.266 3

Activity (Go SEA)

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