UCSF

ZINC39870151

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 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) 6.44 12.77 -51.85 0 6 -1 84 482.335 6
Mid Mid (pH 6-8) 6.44 13.36 -15.78 1 6 0 81 483.343 6

Activity (Go SEA)

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