UCSF

ZINC42421430

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 2.66 5.6 -48.39 3 3 1 40 297.85 6
Lo Low (pH 4.5-6) 2.66 7.48 -127.67 4 3 2 41 298.858 6

Activity (Go SEA)

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