UCSF

ZINC58029289

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 23 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) 3.46 11.83 -31.83 1 3 1 25 315.481 4
Hi High (pH 8-9.5) 3.46 10.06 -6.35 0 3 0 24 314.473 4

Activity (Go SEA)

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