UCSF

ZINC31978936

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 0.74 2.44 -48.8 2 5 -1 89 254.306 7
Lo Low (pH 4.5-6) 0.74 1.31 -12.61 3 5 0 87 255.314 7

Activity (Go SEA)

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