UCSF

ZINC44838326

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) -0.06 4.16 -17.37 2 4 0 59 251.355 5
Lo Low (pH 4.5-6) -0.06 4.72 -37.75 3 4 1 60 252.363 5

Activity (Go SEA)

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