UCSF

ZINC06495390

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 12 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) -0.49 -1.13 -35.89 3 4 1 54 176.236 1
Hi High (pH 8-9.5) -0.49 -3.54 -6.93 2 4 0 53 175.228 1

Activity (Go SEA)

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