UCSF

ZINC34562053

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 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) 3.44 5.06 -10.83 2 3 0 53 261.28 0
Hi High (pH 8-9.5) 3.44 5.82 -45.98 1 3 -1 56 260.272 0

Activity (Go SEA)

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