UCSF

ZINC39750877

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 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) 1.58 5.51 -14.06 2 7 0 93 341.396 7
Hi High (pH 8-9.5) 1.58 5.32 -46.9 1 7 -1 91 340.388 7

Activity (Go SEA)

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