UCSF

ZINC09649988

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 18 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) 2.86 -1.56 -9.24 1 3 0 38 262.378 5
Mid Mid (pH 6-8) 2.86 -1.31 -27.75 2 3 1 39 263.386 5

Activity (Go SEA)

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