UCSF

ZINC39965689

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 33 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) 4.56 11.44 -15.14 1 8 0 91 477.571 8
Hi High (pH 8-9.5) 4.74 10.02 -46.5 0 8 -1 97 476.563 8

Activity (Go SEA)

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