UCSF

ZINC36273314

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 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) 3.12 7.6 -10.9 2 5 0 56 336.439 3
Mid Mid (pH 6-8) 3.12 6.89 -26.43 3 5 1 57 337.447 3
Lo Low (pH 4.5-6) 3.12 9.13 -89.6 4 5 2 58 338.455 3

Activity (Go SEA)

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