UCSF

ZINC05934596

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 25 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) 4.77 9.25 -58.23 2 5 -1 89 332.335 4
Hi High (pH 8-9.5) 4.77 10.17 -112.83 1 5 -2 92 331.327 4

Activity (Go SEA)

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