UCSF

ZINC21816656

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 14 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) 0.24 2 -49.84 3 4 1 59 194.258 5
Hi High (pH 8-9.5) 0.24 0.59 -11.99 2 4 0 54 193.25 5

Activity (Go SEA)

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