UCSF

ZINC43425594

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 0.87 2.14 -6.61 3 5 0 71 293.342 3
Lo Low (pH 4.5-6) 0.87 4.27 -38.06 4 5 1 72 294.35 3

Activity (Go SEA)

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