UCSF

ZINC05100594

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 28 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) 4.69 8.4 -11.62 2 5 0 59 414.859 5
Mid Mid (pH 6-8) 4.87 8.88 -31.12 3 5 1 64 415.867 5

Activity (Go SEA)

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