UCSF

ZINC22211344

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 2.55 7.04 -38.06 4 4 1 60 290.431 3
Hi High (pH 8-9.5) 2.55 5.26 -10.33 3 4 0 58 289.423 3

Activity (Go SEA)

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