UCSF

ZINC28007434

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 22 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) 4.51 10 -80.82 3 3 2 31 315.848 5
Hi High (pH 8-9.5) 4.51 9.63 -48.91 2 3 1 29 314.84 5

Activity (Go SEA)

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