UCSF

ZINC22101266

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 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) 3.53 9.58 -31.73 2 2 1 16 281.423 3
Hi High (pH 8-9.5) 3.53 9.26 -38.61 2 2 1 20 281.423 3
Hi High (pH 8-9.5) 3.53 8.27 -2 1 2 0 15 280.415 3

Activity (Go SEA)

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