UCSF

ZINC44457530

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2010 29 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) 2.02 2.7 -19.14 1 8 0 88 437.543 6
Mid Mid (pH 6-8) 2.02 4.91 -61.81 2 8 1 89 438.551 6

Activity (Go SEA)

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