UCSF

ZINC44448571

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 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) 2.17 5.85 -8.67 0 3 0 24 286.297 3
Lo Low (pH 4.5-6) 2.17 7.9 -47.12 1 3 1 25 287.305 3

Activity (Go SEA)

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