UCSF

ZINC60503337

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.44 3.73 -41.43 2 5 1 46 258.386 7
Hi High (pH 8-9.5) 0.44 1.45 -10.99 1 5 0 45 257.378 7

Activity (Go SEA)

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