UCSF

ZINC37126534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 1.76 5.11 -35.39 3 5 1 66 310.805 5
Mid Mid (pH 6-8) 1.76 4.06 -11.95 2 5 0 61 309.797 5

Activity (Go SEA)

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