UCSF

ZINC41305474

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) 2.89 8.57 -17.18 1 5 0 56 309.369 5
Mid Mid (pH 6-8) 2.89 9.02 -34.91 2 5 1 57 310.377 5

Activity (Go SEA)

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