UCSF

ZINC44879850

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 18 No

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) 0.20 1.58 -45.51 5 6 1 92 255.342 5
Hi High (pH 8-9.5) 0.39 -0.28 -35.99 4 6 0 98 254.334 5

Activity (Go SEA)

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