UCSF

ZINC34686890

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 3.40 8.15 -10.17 0 5 0 34 370.493 7
Lo Low (pH 4.5-6) 3.40 10.39 -44.05 1 5 1 35 371.501 7

Activity (Go SEA)

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