UCSF

ZINC33586829

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 34 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) 4.13 11.07 -55.27 3 6 1 66 477.551 10
Hi High (pH 8-9.5) 4.13 8.86 -19.06 2 6 0 65 476.543 10

Activity (Go SEA)

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