UCSF

ZINC08981589

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 34 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) 4.37 -0.89 -21.78 2 8 0 110 490.484 9
Hi High (pH 8-9.5) 4.37 -0.31 -57.54 1 8 -1 112 489.476 9

Activity (Go SEA)

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