UCSF

ZINC36977051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) -2.86 2.99 -56.59 2 8 -1 120 275.244 5
Lo Low (pH 4.5-6) -2.86 3.54 -73.27 3 8 0 121 276.252 5

Activity (Go SEA)

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