UCSF

ZINC28899966

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 20 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) 1.91 5.3 -41.13 3 5 1 63 284.424 7
Hi High (pH 8-9.5) 1.91 3.05 -10.74 2 5 0 61 283.416 7

Activity (Go SEA)

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