UCSF

ZINC28913828

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 25 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) 2.32 6.86 -12.71 1 6 0 59 346.406 4
Lo Low (pH 4.5-6) 2.32 8.79 -50.74 2 6 1 61 347.414 4

Activity (Go SEA)

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