UCSF

ZINC37052162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) -0.10 5.61 -11.25 2 6 0 92 289.316 3
Lo Low (pH 4.5-6) -0.10 5.91 -53.8 3 6 1 94 290.324 3

Activity (Go SEA)

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