UCSF

ZINC39327877

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 22 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) 1.83 4.42 -34.55 4 5 1 82 313.406 3
Mid Mid (pH 6-8) 1.83 4.02 -11.24 3 5 0 81 312.398 3
Lo Low (pH 4.5-6) 1.83 4.89 -77.09 5 5 2 83 314.414 3

Activity (Go SEA)

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