UCSF

ZINC05903725

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 22 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) 1.44 6.89 -17.04 1 5 0 60 297.358 4
Lo Low (pH 4.5-6) 1.44 7.58 -29.99 2 5 1 61 298.366 4

Activity (Go SEA)

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