UCSF

ZINC57379341

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 31 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) 3.24 8.83 -14.88 0 6 0 61 443.613 9
Lo Low (pH 4.5-6) 3.24 11.05 -50.94 1 6 1 62 444.621 9

Activity (Go SEA)

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