UCSF

ZINC37854142

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.10 2.98 -14.41 2 5 0 73 260.293 4
Hi High (pH 8-9.5) 1.01 0.86 -53.73 1 5 -1 76 259.285 4

Activity (Go SEA)

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