UCSF

ZINC34615316

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 30 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) 2.74 10.34 -52.08 2 6 -1 107 419.538 10
Lo Low (pH 4.5-6) 2.74 8.36 -15.13 3 6 0 104 420.546 10

Activity (Go SEA)

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