UCSF

ZINC09716113

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 33 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) 3.63 10.97 -24.46 2 8 0 110 443.459 9
Hi High (pH 8-9.5) 4.08 9.91 -56.29 1 8 -1 113 442.451 9

Activity (Go SEA)

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