UCSF

ZINC49388564

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 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) 1.12 8.35 -47.86 1 6 1 71 276.316 3
Mid Mid (pH 6-8) 1.12 6.16 -8.78 0 6 0 69 275.308 3

Activity (Go SEA)

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