UCSF

ZINC34476674

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 23 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) -0.77 6.56 -89.57 3 6 0 99 318.304 2
Hi High (pH 8-9.5) -0.77 6.43 -65.03 2 6 -1 97 317.296 2
Lo Low (pH 4.5-6) -3.21 4.74 -80.74 4 6 1 101 319.312 2
Lo Low (pH 4.5-6) -0.77 4.55 -50.39 4 6 1 96 319.312 2

Activity (Go SEA)

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