UCSF

ZINC57875569

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 20 No

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) 2.24 9.33 -66.53 1 6 1 83 276.316 4
Mid Mid (pH 6-8) 2.24 7.09 -14.81 0 6 0 82 275.308 4

Activity (Go SEA)

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