UCSF

ZINC00698182

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 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) 3.61 10.49 -22.56 1 7 0 83 485.437 9
Hi High (pH 8-9.5) 3.43 9.42 -58.22 0 7 -1 89 484.429 9

Activity (Go SEA)

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