UCSF

ZINC33673007

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 24 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) 1.94 7.36 -54.46 2 6 1 57 333.387 4
Hi High (pH 8-9.5) 1.94 4.82 -16.15 1 6 0 56 332.379 4

Activity (Go SEA)

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