UCSF

ZINC34667358

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 31 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) 0.55 2.28 -13.22 1 8 0 75 435.565 11
Mid Mid (pH 6-8) 0.55 4.64 -43.98 2 8 1 76 436.573 11
Mid Mid (pH 6-8) 0.55 4.57 -47.63 2 8 1 76 436.573 11
Lo Low (pH 4.5-6) 0.55 6.91 -112.54 3 8 2 77 437.581 11

Activity (Go SEA)

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