UCSF

ZINC00088024

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 21 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) 4.86 11.15 -21.85 1 2 1 17 295.431 2
Hi High (pH 8-9.5) 4.86 10.75 -6.45 0 2 0 16 294.423 2

Activity (Go SEA)

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