UCSF

ZINC04882926

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 30 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) 4.13 -1.89 -45.9 3 6 1 64 410.538 7
Mid Mid (pH 6-8) 2.48 8.09 -9.07 1 4 0 45 281.359 5

Activity (Go SEA)

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