UCSF

ZINC39748466

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 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) 3.72 10.73 -25.22 1 8 0 95 460.629 10
Hi High (pH 8-9.5) 3.91 9.2 -62.57 0 8 -1 101 459.621 10

Activity (Go SEA)

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