UCSF

ZINC33359176

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2009 18 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) 2.46 6.51 -6.22 0 2 0 20 267.731 2
Mid Mid (pH 6-8) 2.46 8.64 -48.28 1 2 1 22 268.739 2

Activity (Go SEA)

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