UCSF

ZINC42466448

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.17 6.65 -52.74 0 5 -1 65 269.708 4
Lo Low (pH 4.5-6) 2.17 6.95 -33.82 1 5 0 67 270.716 4

Activity (Go SEA)

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