UCSF

ZINC39259812

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 27 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) 3.71 12.87 -49.36 2 4 1 38 368.545 7
Hi High (pH 8-9.5) 3.71 11.05 -10.6 1 4 0 37 367.537 7

Activity (Go SEA)

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