UCSF

ZINC35745545

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 3.61 10.08 -55.04 3 6 1 80 442.605 9
Hi High (pH 8-9.5) 4.07 7.4 -49.78 2 6 0 83 441.597 9

Activity (Go SEA)

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