UCSF

ZINC39759187

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 19 No

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) 1.09 3.26 -15.81 3 8 0 130 279.281 5
Mid Mid (pH 6-8) 1.09 3.06 -45.13 2 8 -1 129 278.273 5

Activity (Go SEA)

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