UCSF

ZINC05907530

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 31 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.45 8.43 -14.42 2 6 0 76 415.493 6
Mid Mid (pH 6-8) 4.45 8.93 -27.37 3 6 1 77 416.501 6

Activity (Go SEA)

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