UCSF

ZINC47464796

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.82 0.24 -10.61 2 5 0 71 207.233 4
Lo Low (pH 4.5-6) -0.82 0.69 -42.89 3 5 1 72 208.241 4

Activity (Go SEA)

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