UCSF

ZINC39914223

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 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) 6.36 10.39 -9.17 2 5 0 69 437.971 5
Mid Mid (pH 6-8) 6.36 11.16 -46.71 1 5 -1 72 436.963 5

Activity (Go SEA)

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