UCSF

ZINC44836521

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) 0.81 3.91 -8.07 3 4 0 68 265.382 6
Lo Low (pH 4.5-6) 0.81 4.37 -39.63 4 4 1 69 266.39 6

Activity (Go SEA)

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