UCSF

ZINC35143825

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 36 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) 7.38 16.16 -21.47 1 6 0 75 506.716 14
Hi High (pH 8-9.5) 7.56 14.92 -55.86 0 6 -1 82 505.708 14

Activity (Go SEA)

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