UCSF

ZINC05882417

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 26 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) 4.17 6.64 -12.52 2 6 0 79 418.346 9
Lo Low (pH 4.5-6) 4.17 7.3 -34.15 3 6 1 81 419.354 9

Activity (Go SEA)

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