UCSF

ZINC59297589

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2011 32 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) 5.43 8.45 -14.94 1 6 0 84 470.616 5
Mid Mid (pH 6-8) 5.43 9.22 -49.01 0 6 -1 86 469.608 5

Activity (Go SEA)

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