UCSF

ZINC41667981

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 4.83 10.09 -15.37 0 6 0 61 457.526 6
Mid Mid (pH 6-8) 4.83 12.95 -63.03 1 6 1 62 458.534 6

Activity (Go SEA)

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