UCSF

ZINC41675339

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 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) 1.62 5.48 -41.13 2 3 1 40 224.353 5
Hi High (pH 8-9.5) 1.62 3.02 -6.4 1 3 0 39 223.345 5

Activity (Go SEA)

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