UCSF

ZINC44610611

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) -0.97 -0.21 -49.21 3 8 1 88 249.302 4
Lo Low (pH 4.5-6) -0.97 2.05 -136.34 4 8 2 89 250.31 4
Lo Low (pH 4.5-6) -0.97 0.7 -51.23 3 8 1 84 249.302 4

Activity (Go SEA)

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