UCSF

ZINC34691539

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 1.00 1.7 -9.32 1 6 0 56 379.476 5
Mid Mid (pH 6-8) 1.00 3.98 -47.23 2 6 1 57 380.484 5

Activity (Go SEA)

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