UCSF

ZINC28001821

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 21 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) 3.32 8.43 -14.17 0 4 0 36 282.343 5
Mid Mid (pH 6-8) 3.32 8.85 -26.67 1 4 1 37 283.351 5

Activity (Go SEA)

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