UCSF

ZINC35268260

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 4.86 10.66 -27.42 2 7 0 87 435.553 5
Hi High (pH 8-9.5) 5.04 9.86 -63.29 1 7 -1 94 434.545 5

Activity (Go SEA)

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