UCSF

ZINC36998390

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 2.49 2.48 -14.31 3 5 0 73 250.346 4
Lo Low (pH 4.5-6) 2.49 2.63 -48.32 4 5 1 78 251.354 4

Activity (Go SEA)

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