UCSF

ZINC38590680

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.25 12.86 -12.41 0 5 0 63 410.473 3
Lo Low (pH 4.5-6) 4.25 13.33 -38.58 1 5 1 65 411.481 3

Activity (Go SEA)

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