UCSF

ZINC41292189

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 23 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) 1.84 7.98 -20.7 1 5 0 58 309.369 6
Mid Mid (pH 6-8) 1.84 8.26 -29.8 2 5 1 59 310.377 6

Activity (Go SEA)

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