UCSF

ZINC55344003

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 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) 1.72 6.67 -13.46 1 8 0 84 424.501 5
Lo Low (pH 4.5-6) 1.72 6.84 -36.2 2 8 1 85 425.509 5

Activity (Go SEA)

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