UCSF

ZINC34874572

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 31 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) 2.94 8.03 -49.19 5 6 1 83 419.549 9
Hi High (pH 8-9.5) 2.94 5.83 -13.7 4 6 0 82 418.541 9

Activity (Go SEA)

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