UCSF

ZINC34680792

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 3.12 10.45 -18.35 1 7 0 75 448.498 5
Lo Low (pH 4.5-6) 3.12 10.77 -50.68 2 7 1 76 449.506 5

Activity (Go SEA)

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