UCSF

ZINC31972230

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) -0.22 1.63 -62.8 2 9 -1 128 334.308 6
Lo Low (pH 4.5-6) -0.22 0.51 -27.53 3 9 0 125 335.316 6

Activity (Go SEA)

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