UCSF

ZINC34826431

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 24 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) 1.08 4.36 -30.45 5 4 1 72 411.136 5
Hi High (pH 8-9.5) 1.08 4.03 -4.69 4 4 0 71 410.128 5
Lo Low (pH 4.5-6) 1.08 4.66 -93.59 6 4 2 74 412.144 5

Activity (Go SEA)

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