UCSF

ZINC21054476

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 18 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) 0.28 2.86 -31.08 2 6 0 84 270.358 6
Hi High (pH 8-9.5) 0.47 1.79 -53.58 1 6 -1 90 269.35 6

Activity (Go SEA)

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