UCSF

ZINC04157188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 31 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) 6.55 16.23 -25.64 2 5 1 57 420.577 7
Mid Mid (pH 6-8) 6.55 15.82 -15.3 1 5 0 56 419.569 7

Activity (Go SEA)

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