UCSF

ZINC44117048

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 19 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) 1.59 2.14 -5.74 1 4 0 42 263.337 1
Lo Low (pH 4.5-6) 1.59 3.97 -35.83 2 4 1 43 264.345 1

Activity (Go SEA)

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