UCSF

ZINC39980668

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 28 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) 2.06 -2.55 -21.69 3 9 0 134 420.472 7
Hi High (pH 8-9.5) 2.06 -2.39 -46.51 2 9 -1 136 419.464 7

Activity (Go SEA)

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