UCSF

ZINC22325673

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 22 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) 3.80 4.93 -18.44 3 5 0 78 339.178 3
Hi High (pH 8-9.5) 3.80 5.95 -54.25 2 5 -1 81 338.17 3

Activity (Go SEA)

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