UCSF

ZINC30872150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 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) 5.56 8.95 -11.71 1 3 0 46 386.344 7
Hi High (pH 8-9.5) 5.56 8.58 -42.57 0 3 -1 48 385.336 7

Activity (Go SEA)

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