UCSF

ZINC33829217

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 16 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) 2.78 7.86 -34.04 1 2 1 14 220.336 3
Hi High (pH 8-9.5) 2.78 5.5 -3.08 0 2 0 12 219.328 3

Activity (Go SEA)

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