UCSF

ZINC22049666

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 33 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) 1.93 -5.79 -25.72 6 12 0 207 461.427 8
Mid Mid (pH 6-8) 1.93 -4.99 -60.07 5 12 -1 209 460.419 8

Activity (Go SEA)

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