UCSF

ZINC45663582

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 0.02 3.3 -107.13 4 5 2 53 255.41 8
Hi High (pH 8-9.5) 0.02 0.85 -46.46 3 5 1 52 254.402 8

Activity (Go SEA)

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