UCSF

ZINC43413456

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 3.31 8.25 -57.24 3 3 1 45 286.443 4
Lo Low (pH 4.5-6) 3.31 8.39 -104.85 4 3 2 47 287.451 4

Activity (Go SEA)

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