UCSF

ZINC33916973

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 27 No

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) -1.30 3.54 -27.56 3 8 0 124 376.409 5
Hi High (pH 8-9.5) -1.30 2.49 -55.74 2 8 -1 119 375.401 5
Mid Mid (pH 6-8) -1.30 2.41 -52.99 2 8 -1 119 375.401 5

Activity (Go SEA)

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