UCSF

ZINC44509437

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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) -0.23 -1.29 -38.47 2 6 -1 115 238.248 4
Lo Low (pH 4.5-6) -0.23 -1.45 -25.05 3 6 0 113 239.256 4

Activity (Go SEA)

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