UCSF

ZINC19486084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) 2.93 3.55 -55.98 5 4 1 77 257.313 3
Hi High (pH 8-9.5) 2.93 4.58 -89.43 4 4 0 80 256.305 3

Activity (Go SEA)

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