UCSF

ZINC39749610

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) 2.63 6.9 -27.06 2 7 0 93 368.418 6
Hi High (pH 8-9.5) 2.69 5.24 -62.62 1 7 -1 100 367.41 6

Activity (Go SEA)

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