UCSF

ZINC57624262

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 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) 2.66 7.83 -31.27 1 2 1 14 208.325 6
Hi High (pH 8-9.5) 2.66 5.76 -2.88 0 2 0 12 207.317 6

Activity (Go SEA)

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