UCSF

ZINC36273124

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 4.72 11.27 -37.69 3 4 1 48 337.491 6
Mid Mid (pH 6-8) 4.72 8.56 -24.15 3 4 1 48 337.491 6
Mid Mid (pH 6-8) 4.72 11.54 -84.08 4 4 2 49 338.499 6
Mid Mid (pH 6-8) 4.72 8.86 -8.87 2 4 0 47 336.483 6

Activity (Go SEA)

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