UCSF

ZINC19903605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 2.67 4.86 -9.49 2 3 0 45 250.301 3
Mid Mid (pH 6-8) 2.67 5.35 -34.83 3 3 1 46 251.309 3

Activity (Go SEA)

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