UCSF

ZINC02548533

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 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) 0.83 4.02 -54.03 2 3 1 33 250.272 1
Hi High (pH 8-9.5) 0.83 2.6 -6.09 1 3 0 28 249.264 1
Lo Low (pH 4.5-6) 0.83 4.44 -96.8 3 3 2 34 251.28 1

Activity (Go SEA)

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