UCSF

ZINC44822791

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) 1.68 5.11 -9.43 1 4 0 66 231.299 5
Lo Low (pH 4.5-6) 1.68 5.56 -42.63 2 4 1 67 232.307 5

Activity (Go SEA)

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