UCSF

ZINC05408851

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 28 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) 2.32 6.72 -64.66 0 7 -1 96 378.36 6
Mid Mid (pH 6-8) 2.77 1.35 -19.47 1 7 0 93 379.368 5

Activity (Go SEA)

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