UCSF

ZINC33929382

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.44 6.5 -14.98 2 6 0 87 351.387 2
Hi High (pH 8-9.5) 5.36 2.98 -125.54 0 6 -2 93 349.371 2
Mid Mid (pH 6-8) 4.90 4.72 -53.28 1 6 -1 90 350.379 2
Mid Mid (pH 6-8) 4.90 4.74 -57.53 1 6 -1 90 350.379 2

Activity (Go SEA)

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