UCSF

ZINC41547169

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 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) 1.78 2.07 -13.86 4 7 0 111 373.434 3
Hi High (pH 8-9.5) 1.96 0.7 -46.98 3 7 -1 117 372.426 3

Activity (Go SEA)

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