UCSF

ZINC33708908

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 28 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) 3.09 7.61 -30.75 1 8 0 94 402.476 4
Hi High (pH 8-9.5) 3.27 6.54 -60.31 0 8 -1 100 401.468 4

Activity (Go SEA)

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