UCSF

ZINC51103623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 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) -1.48 3.54 -55.09 3 9 1 101 384.501 7
Hi High (pH 8-9.5) -1.48 1.79 -22.16 2 9 0 99 383.493 7

Activity (Go SEA)

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