UCSF

ZINC31964948

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 0.27 2.11 -66.39 5 6 1 99 285.327 4
Hi High (pH 8-9.5) 0.27 1.71 -18.68 4 6 0 97 284.319 4

Activity (Go SEA)

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