UCSF

ZINC43424813

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) 1.91 4.78 -48.37 3 4 1 53 291.415 4
Lo Low (pH 4.5-6) 1.91 6.74 -129.29 4 4 2 54 292.423 4

Activity (Go SEA)

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