UCSF

ZINC51576862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 14 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) -0.84 2.76 -16.75 1 4 0 66 189.218 3
Lo Low (pH 4.5-6) -0.84 3.14 -46.16 2 4 1 67 190.226 3

Activity (Go SEA)

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