UCSF

ZINC40079779

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 39 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) 5.12 8.36 -50.89 2 8 -1 119 538.661 11
Lo Low (pH 4.5-6) 5.12 7.61 -12.31 3 8 0 117 539.669 11

Activity (Go SEA)

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