UCSF

ZINC66078052

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 19 No

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) 2.27 8.89 -16.15 0 6 0 73 279.321 5
Lo Low (pH 4.5-6) 2.27 9.52 -42.11 1 6 1 74 280.329 5

Activity (Go SEA)

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