UCSF

ZINC40110164

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.93 7.33 -67.82 1 8 -1 112 494.495 11
Lo Low (pH 4.5-6) 2.93 6.58 -20.79 2 8 0 109 495.503 11

Activity (Go SEA)

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