UCSF

ZINC41216210

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 15 Yes

Other Names:

MFCD28126565

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) 1.83 6.6 -45.81 3 1 1 28 208.3 2
Hi High (pH 8-9.5) 1.83 6.31 -2.96 2 1 0 26 207.292 2

Activity (Go SEA)

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