UCSF

ZINC39675735

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 34 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) 3.02 10.75 -106.14 4 6 2 70 505.49 6
Hi High (pH 8-9.5) 3.02 7.99 -52.48 3 6 1 69 504.482 6

Activity (Go SEA)

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