UCSF

ZINC37803512

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.60 4.41 -42.36 2 6 1 66 282.364 4
Hi High (pH 8-9.5) -0.60 3.13 -17.01 1 6 0 62 281.356 4

Activity (Go SEA)

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