UCSF

ZINC33787750

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 27 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) 2.46 9.07 -28.52 1 7 0 78 385.493 5
Hi High (pH 8-9.5) 2.65 8.02 -63.29 0 7 -1 85 384.485 5

Activity (Go SEA)

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