UCSF

ZINC39967887

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 35 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) 5.85 14.12 -18.91 1 8 0 95 512.705 13
Hi High (pH 8-9.5) 6.03 12.91 -50.83 0 8 -1 101 511.697 13

Activity (Go SEA)

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