UCSF

ZINC51160982

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) -0.22 1.21 -22.12 3 9 0 132 394.453 5
Hi High (pH 8-9.5) 0.69 -0.94 -57.94 2 9 -1 135 393.445 5

Activity (Go SEA)

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