UCSF

ZINC38496283

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.81 14.74 -52.38 1 4 1 30 386.519 4
Hi High (pH 8-9.5) 4.81 12.85 -9.35 0 4 0 28 385.511 4

Activity (Go SEA)

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