UCSF

ZINC39751313

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 26 No

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) 2.90 7.54 -17.9 0 5 0 55 369.49 5
Lo Low (pH 4.5-6) 2.90 9.91 -38.65 1 5 1 57 370.498 5

Activity (Go SEA)

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