UCSF

ZINC31562032

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 25 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) 3.18 6.58 -15.8 3 6 0 86 329.363 4
Mid Mid (pH 6-8) 3.18 6.46 -11.94 3 6 0 86 329.363 4
Mid Mid (pH 6-8) 3.18 6.53 -13.37 3 6 0 86 329.363 4
Mid Mid (pH 6-8) 3.18 6.5 -14.66 3 6 0 86 329.363 4

Activity (Go SEA)

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