UCSF

ZINC35907989

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 35 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) 5.73 13.78 -49.41 2 4 1 37 490.565 5
Mid Mid (pH 6-8) 5.73 11.59 -9.97 1 4 0 36 489.557 5

Activity (Go SEA)

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