UCSF

ZINC22783655

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 5.06 9.62 -51.48 2 2 1 26 400.134 5
Hi High (pH 8-9.5) 5.06 8.34 -5.18 1 2 0 21 399.126 5

Activity (Go SEA)

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