UCSF

ZINC30943301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 26 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) 2.79 6.85 -11.52 2 8 0 108 365.43 8
Mid Mid (pH 6-8) 2.79 7.84 -47.37 1 8 -1 110 364.422 8
Mid Mid (pH 6-8) 2.79 6.83 -51.95 3 8 1 109 366.438 8

Activity (Go SEA)

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