UCSF

ZINC39897712

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.78 10.94 -15.37 1 4 0 55 423.291 2
Hi High (pH 8-9.5) 5.85 9.31 -46.56 0 4 -1 61 422.283 2

Activity (Go SEA)

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