UCSF

ZINC21582100

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 33 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) 3.18 10.52 -50.29 1 7 1 75 489.017 8
Hi High (pH 8-9.5) 3.18 8.4 -17.96 0 7 0 74 488.009 8

Activity (Go SEA)

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