UCSF

ZINC14532512

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 34 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) 3.46 9.48 -13.86 2 9 0 104 466.538 10
Lo Low (pH 4.5-6) 3.46 9.76 -36.78 3 9 1 105 467.546 10

Activity (Go SEA)

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