UCSF

ZINC21019655

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 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) 1.08 2.96 -44.01 3 5 1 68 306.358 2
Hi High (pH 8-9.5) 1.08 0.79 -9.02 2 5 0 67 305.35 2

Activity (Go SEA)

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