UCSF

ZINC39988417

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 26 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) -0.82 1.18 -45.03 3 8 1 94 377.502 3
Hi High (pH 8-9.5) -0.82 0.84 -11.15 2 8 0 93 376.494 3

Activity (Go SEA)

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