UCSF

ZINC30007811

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2009 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -2.92 7.47 -44.21 0 4 1 24 300.426 3
Mid Mid (pH 6-8) -2.92 9.99 -121.87 1 4 2 25 301.434 3

Activity (Go SEA)

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