UCSF

ZINC37052154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) -1.03 3.48 -9.26 2 6 0 92 221.216 2
Lo Low (pH 4.5-6) -1.03 3.79 -52.72 3 6 1 94 222.224 2

Activity (Go SEA)

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