UCSF

ZINC38789158

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 17 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) 3.16 10.15 -93.68 0 4 -2 80 242.315 11
Lo Low (pH 4.5-6) 3.16 8.17 -48.27 1 4 -1 77 243.323 11
Lo Low (pH 4.5-6) 3.16 8.17 -48.28 1 4 -1 77 243.323 11

Activity (Go SEA)

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