UCSF

ZINC33827388

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 0.08 5.08 -27.23 2 4 1 57 284.335 2
Hi High (pH 8-9.5) 3.66 6.98 -13.97 1 4 0 54 283.327 3

Activity (Go SEA)

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