UCSF

ZINC09592306

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2007 26 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) 3.16 0.44 -9.99 0 4 0 46 365.864 6
Lo Low (pH 4.5-6) 3.16 0.55 -46.37 1 4 1 47 366.872 6

Activity (Go SEA)

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