UCSF

ZINC39755524

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 29 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) 4.79 11.75 -15.75 1 6 0 73 427.53 6
Hi High (pH 8-9.5) 4.98 10.34 -47.84 0 6 -1 79 426.522 6

Activity (Go SEA)

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