UCSF

ZINC45429242

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2010 22 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) 1.70 6.72 -43.73 2 5 1 54 324.832 4
Mid Mid (pH 6-8) 1.70 4.57 -8.77 1 5 0 53 323.824 4

Activity (Go SEA)

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