UCSF

ZINC39735249

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 26 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) 6.01 11.99 -9.51 1 3 0 42 423.39 5
Hi High (pH 8-9.5) 6.08 10.35 -41.1 0 3 -1 48 422.382 5

Activity (Go SEA)

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