UCSF

ZINC39869650

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 23 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) 4.14 6.25 -19.38 2 5 0 75 326.377 4
Mid Mid (pH 6-8) 4.14 5.49 -51.27 1 5 -1 77 325.369 4

Activity (Go SEA)

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