UCSF

ZINC09069914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 24 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) 2.58 7.9 -53.1 3 5 1 63 330.452 5
Hi High (pH 8-9.5) 2.58 5.71 -17.3 2 5 0 61 329.444 5

Activity (Go SEA)

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