UCSF

ZINC72174885

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2012 23 Yes

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) 5.09 10.81 -50.45 0 3 -1 49 315.433 4
Lo Low (pH 4.5-6) 5.09 8.84 -6.46 1 3 0 47 316.441 4

Activity (Go SEA)

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