UCSF

ZINC37102879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.80 5.27 -6.92 2 5 0 67 310.781 6
Lo Low (pH 4.5-6) 2.80 6.12 -32.84 3 5 1 72 311.789 6

Activity (Go SEA)

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