UCSF

ZINC34864306

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 3.69 9.65 -21.76 1 7 0 84 442.516 9
Hi High (pH 8-9.5) 3.87 8.18 -56.53 0 7 -1 91 441.508 9

Activity (Go SEA)

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