UCSF

ZINC39898962

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.54 11.7 -38.09 1 7 -1 91 514.989 8
Mid Mid (pH 6-8) 5.54 10.93 -13.55 2 7 0 88 515.997 8
Mid Mid (pH 6-8) 5.54 10.74 -13.47 2 7 0 88 515.997 8

Activity (Go SEA)

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