UCSF

ZINC04155743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 33 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) 7.53 0.67 -13.1 1 5 0 55 504.428 6
Mid Mid (pH 6-8) 7.53 0.85 -26.96 2 5 1 56 505.436 6

Activity (Go SEA)

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