UCSF

ZINC39965429

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 30 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) 2.53 7.58 -16.11 1 10 0 117 447.498 7
Hi High (pH 8-9.5) 2.72 6.15 -41.28 0 10 -1 124 446.49 7

Activity (Go SEA)

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