UCSF

ZINC57074010

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2011 23 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) 1.00 -1.69 -45.78 1 8 -1 106 318.309 6
Lo Low (pH 4.5-6) 0.54 0.16 -11.35 2 8 0 103 319.317 6

Activity (Go SEA)

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