UCSF

ZINC41144767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 2.30 6.16 -35.42 2 3 1 28 277.432 5
Lo Low (pH 4.5-6) 2.30 8.45 -101.06 3 3 2 29 278.44 5
Lo Low (pH 4.5-6) 2.30 6.05 -37.22 2 3 1 28 277.432 5

Activity (Go SEA)

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