UCSF

ZINC35829054

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 37 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) 4.61 13.59 -12.76 0 6 0 47 493.607 5
Mid Mid (pH 6-8) 4.61 15.8 -52.56 1 6 1 48 494.615 5

Activity (Go SEA)

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