UCSF

ZINC35584252

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 19 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) 2.79 7.55 -45.62 2 3 1 34 266.315 5
Mid Mid (pH 6-8) 2.79 6.55 -6.09 1 3 0 30 265.307 5

Activity (Go SEA)

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