UCSF

ZINC40117617

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 22 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) 1.65 3.83 -50.99 1 5 -1 82 358.171 3
Lo Low (pH 4.5-6) 1.65 3.07 -13.38 2 5 0 79 359.179 3

Activity (Go SEA)

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