UCSF

ZINC39898517

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 34 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) 5.60 11.18 -40.11 1 7 -1 91 482.988 9
Mid Mid (pH 6-8) 5.60 10.41 -14.36 2 7 0 88 483.996 9
Mid Mid (pH 6-8) 5.60 10.16 -12.09 2 7 0 88 483.996 9

Activity (Go SEA)

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