UCSF

ZINC39927650

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 23 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) 3.33 10.25 -58.19 2 3 1 53 300.385 5
Mid Mid (pH 6-8) 3.33 8.9 -9.76 1 3 0 49 299.377 5

Activity (Go SEA)

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