UCSF

ZINC22501039

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 24 Yes

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) 2.07 5.85 -21.75 1 6 0 81 343.408 3
Mid Mid (pH 6-8) 2.07 5.93 -50.5 0 6 -1 83 342.4 3

Activity (Go SEA)

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