UCSF

ZINC34603788

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 1.02 9.03 -106.83 3 7 0 102 383.448 4
Mid Mid (pH 6-8) -1.72 7.2 -85.75 4 7 1 105 384.456 3

Activity (Go SEA)

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