UCSF

ZINC40101059

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 29 No

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) 3.72 6.96 -60.28 1 6 -1 90 394.447 8
Lo Low (pH 4.5-6) 3.72 6.2 -14.73 2 6 0 87 395.455 8

Activity (Go SEA)

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