UCSF

ZINC35993570

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 36 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) 6.40 14.52 -90.79 4 6 2 70 498.708 15
Hi High (pH 8-9.5) 6.40 13.56 -44.2 3 6 1 66 497.7 15

Activity (Go SEA)

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