UCSF

ZINC54670595

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 26 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) 4.80 8.63 -20.02 1 5 0 59 372.852 5
Lo Low (pH 4.5-6) 3.77 8.46 -58.47 2 5 1 63 373.86 5

Activity (Go SEA)

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