UCSF

ZINC39765504

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 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) 4.20 9.73 -20.03 2 8 0 110 422.466 8
Hi High (pH 8-9.5) 4.20 9.54 -58.49 1 8 -1 108 421.458 8

Activity (Go SEA)

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