UCSF

ZINC40655860

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 27 No

Download: MOL2 SDF SMILES Flexibase

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) 3.11 7.06 -10.26 1 5 0 63 358.445 3
Lo Low (pH 4.5-6) 3.11 9.37 -40.7 2 5 1 65 359.453 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.