UCSF

ZINC39766300

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 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) 4.71 7.71 -21.97 2 8 0 110 480.571 7
Hi High (pH 8-9.5) 4.78 6.16 -116.44 0 8 -2 119 478.555 7
Mid Mid (pH 6-8) 4.71 7.84 -57.9 1 8 -1 112 479.563 7

Activity (Go SEA)

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