UCSF

ZINC33827419

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 23 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) 1.52 3.88 -8.22 1 5 0 49 313.401 5
Mid Mid (pH 6-8) 1.52 6.12 -42.64 2 5 1 50 314.409 5

Activity (Go SEA)

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