UCSF

ZINC33921802

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.68 11.03 -41.98 1 3 1 26 325.523 4
Hi High (pH 8-9.5) 3.68 10.42 -11.88 0 3 0 25 324.515 4

Activity (Go SEA)

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