UCSF

ZINC49987469

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 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) 4.17 10.85 -50.66 0 3 -1 43 268.336 5
Lo Low (pH 4.5-6) 4.17 11.11 -69.36 1 3 0 45 269.344 5

Activity (Go SEA)

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