UCSF

ZINC04982216

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 29 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) 2.92 10.46 -52.1 3 6 1 66 399.559 3
Mid Mid (pH 6-8) 2.92 8.22 -15.97 2 6 0 65 398.551 3

Activity (Go SEA)

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