UCSF

ZINC39759436

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 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) 3.20 11.13 -21.17 1 8 0 95 458.613 9
Hi High (pH 8-9.5) 3.39 9.59 -53.82 0 8 -1 101 457.605 9

Activity (Go SEA)

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