UCSF

ZINC06901320

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 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) 4.66 12.74 -42.66 2 6 0 84 418.493 9
Mid Mid (pH 6-8) 4.66 11.39 -53.87 1 6 -1 79 417.485 9

Activity (Go SEA)

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