UCSF

ZINC34387210

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 34 No

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) 1.33 12.47 -40.2 2 8 0 120 464.518 8
Hi High (pH 8-9.5) 1.33 11.56 -45.58 1 8 -1 116 463.51 8

Activity (Go SEA)

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