UCSF

ZINC25510575

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

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) 4.36 11.97 -22.66 1 7 0 88 495.552 8
Mid Mid (pH 6-8) 4.55 10.88 -62.07 0 7 -1 94 494.544 8

Activity (Go SEA)

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