UCSF

ZINC47512139

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 20 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) 0.31 -2.58 -43.29 2 7 -1 107 274.256 4
Lo Low (pH 4.5-6) -0.15 -0.74 -11.49 3 7 0 104 275.264 4

Activity (Go SEA)

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